2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide

C13H21N3O2S — CID 62147960

IUPAC2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O2S/c1-10-5-2-3-6-11(10)9-16-19(17,18)12-7-4-8-15-13(12)14/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3,(H2,14,15)
InChIKeyIELKIATUFWQXEL-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide

2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 62147960) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID62147960
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O2S/c1-10-5-2-3-6-11(10)9-16-19(17,18)12-7-4-8-15-13(12)14/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3,(H2,14,15)
InChIKeyIELKIATUFWQXEL-UHFFFAOYSA-N
XLogP1.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide (CID 62147960) is 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide is CC1CCCCC1CNS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is IELKIATUFWQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-2-3-6-11(10)9-16-19(17,18)12-7-4-8-15-13(12)14/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62147960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).