N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide

C15H25N3O2S — CID 62152225

IUPACN-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(NC)nc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-12-4-6-13(7-5-12)10-18-21(19,20)14-8-9-15(16-2)17-11-14/h8-9,11-13,18H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyMPDIRWIPKFEVSX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.62
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide

N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62152225) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62152225
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(NC)nc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-12-4-6-13(7-5-12)10-18-21(19,20)14-8-9-15(16-2)17-11-14/h8-9,11-13,18H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyMPDIRWIPKFEVSX-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773
6-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63244170
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 81040530
2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244295
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 133316561
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide (CID 62152225) is N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide is CCC1CCC(CNS(=O)(=O)c2ccc(NC)nc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is MPDIRWIPKFEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-12-4-6-13(7-5-12)10-18-21(19,20)14-8-9-15(16-2)17-11-14/h8-9,11-13,18H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).