4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide

C16H22N4O2S — CID 95213149

IUPAC4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide
SMILESCC[C@H]1c2nc[nH]c2CCN1Cc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C16H22N4O2S/c1-3-15-16-14(18-11-19-16)8-9-20(15)10-12-4-6-13(7-5-12)23(21,22)17-2/h4-7,11,15,17H,3,8-10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeySXJDFYYMYQEUKK-HNNXBMFYSA-N
MW334.44 g/mol
LogP1.83
Rot. Bonds5

About 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide

4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 95213149) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID95213149
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide
SMILESCC[C@H]1c2nc[nH]c2CCN1Cc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C16H22N4O2S/c1-3-15-16-14(18-11-19-16)8-9-20(15)10-12-4-6-13(7-5-12)23(21,22)17-2/h4-7,11,15,17H,3,8-10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeySXJDFYYMYQEUKK-HNNXBMFYSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide (CID 95213149) is 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide is CC[C@H]1c2nc[nH]c2CCN1Cc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is SXJDFYYMYQEUKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-15-16-14(18-11-19-16)8-9-20(15)10-12-4-6-13(7-5-12)23(21,22)17-2/h4-7,11,15,17H,3,8-10H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide?
4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 95213149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).