N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide

C15H31N3O2S — CID 139493085

IUPACN-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCNCC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H31N3O2S/c19-21(20,18-12-5-2-6-13-18)17-11-7-10-16-14-15-8-3-1-4-9-15/h15-17H,1-14H2
InChIKeyAATBAMIQHKMAKT-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.87
Rot. Bonds8

About N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide

N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide (PubChem CID 139493085) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide
PubChem CID139493085
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCNCC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H31N3O2S/c19-21(20,18-12-5-2-6-13-18)17-11-7-10-16-14-15-8-3-1-4-9-15/h15-17H,1-14H2
InChIKeyAATBAMIQHKMAKT-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide (CID 139493085) is N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide is O=S(=O)(NCCCNCC1CCCCC1)N1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide?
The InChIKey is AATBAMIQHKMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c19-21(20,18-12-5-2-6-13-18)17-11-7-10-16-14-15-8-3-1-4-9-15/h15-17H,1-14H2.
What are the key properties of N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide?
N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethylamino)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 139493085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).