N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine

C15H26N4O2S — CID 124998489

IUPACN-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
SMILESCCCS(=O)(=O)N1CCC[C@@H](Cc2cnc(NC)cn2)CC1
InChIInChI=1S/C15H26N4O2S/c1-3-9-22(20,21)19-7-4-5-13(6-8-19)10-14-11-18-15(16-2)12-17-14/h11-13H,3-10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyRIDSBQLOAIIXLL-CYBMUJFWSA-N
MW326.47 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine

N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine (PubChem CID 124998489) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
PubChem CID124998489
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
SMILESCCCS(=O)(=O)N1CCC[C@@H](Cc2cnc(NC)cn2)CC1
InChIInChI=1S/C15H26N4O2S/c1-3-9-22(20,21)19-7-4-5-13(6-8-19)10-14-11-18-15(16-2)12-17-14/h11-13H,3-10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyRIDSBQLOAIIXLL-CYBMUJFWSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124978300
N-methyl-5-[[(4R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124994699
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 110112709
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124944029
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331
1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002794
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125012331

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine (CID 124998489) is N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine is CCCS(=O)(=O)N1CCC[C@@H](Cc2cnc(NC)cn2)CC1.
What is the InChIKey of N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is RIDSBQLOAIIXLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-9-22(20,21)19-7-4-5-13(6-8-19)10-14-11-18-15(16-2)12-17-14/h11-13H,3-10H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine?
N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 326.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 124998489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).