3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide

C14H23N3O2S — CID 103305584

IUPAC3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ncccc2N)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-11-6-8-12(9-7-11)17(2)20(18,19)14-13(15)5-4-10-16-14/h4-5,10-12H,3,6-9,15H2,1-2H3
InChIKeyPPLCFQQYDSGZCW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide

3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide (PubChem CID 103305584) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide
PubChem CID103305584
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ncccc2N)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-11-6-8-12(9-7-11)17(2)20(18,19)14-13(15)5-4-10-16-14/h4-5,10-12H,3,6-9,15H2,1-2H3
InChIKeyPPLCFQQYDSGZCW-UHFFFAOYSA-N
XLogP2.25
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide (CID 103305584) is 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ncccc2N)CC1.
What is the InChIKey of 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide?
The InChIKey is PPLCFQQYDSGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11-6-8-12(9-7-11)17(2)20(18,19)14-13(15)5-4-10-16-14/h4-5,10-12H,3,6-9,15H2,1-2H3.
What are the key properties of 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide?
3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103305584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).