N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide

C15H31N3O2S — CID 79116725

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-11-16-14-7-9-15(10-8-14)17(2)21(19,20)18-12-5-4-6-13-18/h14-16H,3-13H2,1-2H3
InChIKeyKANQMNOOGIHRIA-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide

N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide (PubChem CID 79116725) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
PubChem CID79116725
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-11-16-14-7-9-15(10-8-14)17(2)21(19,20)18-12-5-4-6-13-18/h14-16H,3-13H2,1-2H3
InChIKeyKANQMNOOGIHRIA-UHFFFAOYSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide (CID 79116725) is N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide is CCCNC1CCC(N(C)S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide?
The InChIKey is KANQMNOOGIHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-11-16-14-7-9-15(10-8-14)17(2)21(19,20)18-12-5-4-6-13-18/h14-16H,3-13H2,1-2H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide?
N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide is sourced from PubChem (CID 79116725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).