N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide

C16H26N2O2S — CID 140580794

IUPACN-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1NCCCc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-18H,5-7,10-13H2,1H3
InChIKeyBTOKWIMQVDPIGN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide

N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide (PubChem CID 140580794) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
PubChem CID140580794
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1NCCCc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-18H,5-7,10-13H2,1H3
InChIKeyBTOKWIMQVDPIGN-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide (CID 140580794) is N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCCCC1NCCCc1ccccc1.
What is the InChIKey of N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide?
The InChIKey is BTOKWIMQVDPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-18H,5-7,10-13H2,1H3.
What are the key properties of N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide?
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 140580794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).