N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C14H22N2O3S — CID 60972507

IUPACN-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-11-3-5-12(6-4-11)9-16-20(18,19)13-7-8-14(17)15-10-13/h7-8,10-12,16H,2-6,9H2,1H3,(H,15,17)
InChIKeyFXBXRMIWXOORGJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.87
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60972507) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60972507
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-11-3-5-12(6-4-11)9-16-20(18,19)13-7-8-14(17)15-10-13/h7-8,10-12,16H,2-6,9H2,1H3,(H,15,17)
InChIKeyFXBXRMIWXOORGJ-UHFFFAOYSA-N
XLogP1.87
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 81040838
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 60972507) is N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CCC1CCC(CNS(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FXBXRMIWXOORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-11-3-5-12(6-4-11)9-16-20(18,19)13-7-8-14(17)15-10-13/h7-8,10-12,16H,2-6,9H2,1H3,(H,15,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60972507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).