N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride

C13H22ClN3O2S — CID 120607244

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cccnc1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11-5-2-3-7-13(11,10-14)16-19(17,18)12-6-4-8-15-9-12;/h4,6,8-9,11,16H,2-3,5,7,10,14H2,1H3;1H
InChIKeyVXQUALSOZNDLNJ-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.69
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120607244) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID120607244
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cccnc1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11-5-2-3-7-13(11,10-14)16-19(17,18)12-6-4-8-15-9-12;/h4,6,8-9,11,16H,2-3,5,7,10,14H2,1H3;1H
InChIKeyVXQUALSOZNDLNJ-UHFFFAOYSA-N
XLogP1.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride (CID 120607244) is N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride is CC1CCCCC1(CN)NS(=O)(=O)c1cccnc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is VXQUALSOZNDLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-11-5-2-3-7-13(11,10-14)16-19(17,18)12-6-4-8-15-9-12;/h4,6,8-9,11,16H,2-3,5,7,10,14H2,1H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120607244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).