(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide

C36H60N12O12S4 — CID 159720315

IUPAC(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
SMILESCOc1cnc([C@@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@H](C)S(N)(=O)=O)cn1
InChIInChI=1S/4C9H15N3O3S/c4*1-6(7(2)16(10,13)14)8-4-12-9(15-3)5-11-8/h4*4-7H,1-3H3,(H2,10,13,14)/t2*6-,7+;2*6-,7-/m1010/s1
InChIKeyMZYKFIHLOLDCFG-VHEDEQSXSA-N
MW981.22 g/mol
LogP1.06
Rot. Bonds16

About (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide

(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide (PubChem CID 159720315) has the molecular formula C36H60N12O12S4 and a molecular weight of 981.22 g/mol. Its IUPAC name is (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
PubChem CID159720315
Molecular FormulaC36H60N12O12S4
Molecular Weight981.22 g/mol
Exact Mass980.33
IUPAC Name(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
SMILESCOc1cnc([C@@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@H](C)S(N)(=O)=O)cn1
InChIInChI=1S/4C9H15N3O3S/c4*1-6(7(2)16(10,13)14)8-4-12-9(15-3)5-11-8/h4*4-7H,1-3H3,(H2,10,13,14)/t2*6-,7+;2*6-,7-/m1010/s1
InChIKeyMZYKFIHLOLDCFG-VHEDEQSXSA-N
XLogP1.06
TPSA380.68 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.22
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide with MolForge

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Related Compounds

2-[(2R,3S)-3-[[4-(2,6-dimethoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-methoxypyrazine
CID 158198515
(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
CID 134524124
3-amino-3-(5-methoxypyrazin-2-yl)propan-1-ol
CID 83828613
2-(5-methoxypyrazin-2-yl)ethanesulfonamide
CID 145191179
(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
CID 161413357
(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702149
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
(1R,2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702254
N-[4-(2,6-difluorophenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
CID 140771221
(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;N-[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
CID 122701866
(2S,3R)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
CID 122702610
2-hexadecan-8-yl-5-methoxypyrazine
CID 146209208

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide (CID 159720315) is (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide is COc1cnc([C@@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@@H](C)S(N)(=O)=O)cn1.COc1cnc([C@H](C)[C@H](C)S(N)(=O)=O)cn1.
What is the InChIKey of (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide?
The InChIKey is MZYKFIHLOLDCFG-VHEDEQSXSA-N. The full InChI is InChI=1S/4C9H15N3O3S/c4*1-6(7(2)16(10,13)14)8-4-12-9(15-3)5-11-8/h4*4-7H,1-3H3,(H2,10,13,14)/t2*6-,7+;2*6-,7-/m1010/s1.
What are the key properties of (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide?
(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide has a molecular weight of 981.22 g/mol, XLogP of 1.06, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 159720315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).