4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106017048

IUPAC4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)4-3-9-17-21(19,20)18-10-7-14(8-11-18)12-16-15-5-6-15/h13-17H,3-12H2,1-2H3
InChIKeyYXTCKXLMEOWSLH-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds9

About 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide (PubChem CID 106017048) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
PubChem CID106017048
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)4-3-9-17-21(19,20)18-10-7-14(8-11-18)12-16-15-5-6-15/h13-17H,3-12H2,1-2H3
InChIKeyYXTCKXLMEOWSLH-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
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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Related Compounds

4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106028741
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide (CID 106017048) is 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide is CC(C)CCCNS(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide?
The InChIKey is YXTCKXLMEOWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)4-3-9-17-21(19,20)18-10-7-14(8-11-18)12-16-15-5-6-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106017048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).