N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 114552073

IUPACN-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NC2CCC(C)C2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-8-16-11-14-5-4-9-18(12-14)21(19,20)17-15-7-6-13(2)10-15/h13-17H,3-12H2,1-2H3
InChIKeySTJDIZOLEIHOFI-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds7

About N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide

N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 114552073) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID114552073
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NC2CCC(C)C2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-8-16-11-14-5-4-9-18(12-14)21(19,20)17-15-7-6-13(2)10-15/h13-17H,3-12H2,1-2H3
InChIKeySTJDIZOLEIHOFI-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 106071762
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106001719
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide (CID 114552073) is N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCN(S(=O)(=O)NC2CCC(C)C2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is STJDIZOLEIHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-8-16-11-14-5-4-9-18(12-14)21(19,20)17-15-7-6-13(2)10-15/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114552073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).