[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide

C16H24N2O2S — CID 64594287

IUPAC[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C16H24N2O2S/c17-21(19,20)11-12-4-8-15(9-5-12)18-16-3-1-2-14(10-16)13-6-7-13/h4-5,8-9,13-14,16,18H,1-3,6-7,10-11H2,(H2,17,19,20)
InChIKeyRTQDNJUSDVMRHF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.86
Rot. Bonds5

About [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide

[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 64594287) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID64594287
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C16H24N2O2S/c17-21(19,20)11-12-4-8-15(9-5-12)18-16-3-1-2-14(10-16)13-6-7-13/h4-5,8-9,13-14,16,18H,1-3,6-7,10-11H2,(H2,17,19,20)
InChIKeyRTQDNJUSDVMRHF-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide (CID 64594287) is [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NC2CCCC(C3CC3)C2)cc1.
What is the InChIKey of [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is RTQDNJUSDVMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-21(19,20)11-12-4-8-15(9-5-12)18-16-3-1-2-14(10-16)13-6-7-13/h4-5,8-9,13-14,16,18H,1-3,6-7,10-11H2,(H2,17,19,20).
What are the key properties of [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide?
[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 64594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).