5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine

C15H26N4O2S — CID 110257368

IUPAC5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)Nc1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-15-11-16-14(10-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyVPFXQUDSYGGKMT-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.90
Rot. Bonds5

About 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine

5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine (PubChem CID 110257368) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
PubChem CID110257368
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)Nc1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-15-11-16-14(10-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyVPFXQUDSYGGKMT-UHFFFAOYSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
CID 124974272
N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
CID 124998489
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540
2-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
CID 125014070
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
5-[[(4S)-1-(1H-pyrazol-4-ylsulfonyl)azepan-4-yl]methyl]pyrazin-2-amine
CID 124943744
5-[5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120467
2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol
CID 110257878

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine (CID 110257368) is 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine is CC(C)Nc1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine?
The InChIKey is VPFXQUDSYGGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)18-15-11-16-14(10-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine?
5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine has a molecular weight of 326.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 110257368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).