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

C15H21N3O2S — CID 115602773

IUPAC6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-12-3-5-13(6-4-12)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h7-8,11-13,18H,2-6,10H2,1H3
InChIKeyHKFPURSJAVQAPU-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.45
Rot. Bonds5

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

6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 115602773) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID115602773
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-12-3-5-13(6-4-12)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h7-8,11-13,18H,2-6,10H2,1H3
InChIKeyHKFPURSJAVQAPU-UHFFFAOYSA-N
XLogP2.45
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 114612958

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide (CID 115602773) is 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide is CCC1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is HKFPURSJAVQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-12-3-5-13(6-4-12)10-18-21(19,20)15-8-7-14(9-16)17-11-15/h7-8,11-13,18H,2-6,10H2,1H3.
What are the key properties of 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).