N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide

C13H24N2O2S — CID 22624692

IUPACN-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(C#N)CC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)18(16,17)15-9-11(3)13-6-4-12(8-14)5-7-13/h10-13,15H,4-7,9H2,1-3H3
InChIKeySSDMIBRWTICJIA-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide

N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide (PubChem CID 22624692) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide
PubChem CID22624692
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(C#N)CC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)18(16,17)15-9-11(3)13-6-4-12(8-14)5-7-13/h10-13,15H,4-7,9H2,1-3H3
InChIKeySSDMIBRWTICJIA-UHFFFAOYSA-N
XLogP2.28
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide (CID 22624692) is N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(C#N)CC1.
What is the InChIKey of N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide?
The InChIKey is SSDMIBRWTICJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10(2)18(16,17)15-9-11(3)13-6-4-12(8-14)5-7-13/h10-13,15H,4-7,9H2,1-3H3.
What are the key properties of N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide?
N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide has a molecular weight of 272.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanocyclohexyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 22624692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).