N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide

C14H28N2O3S — CID 106014558

IUPACN-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)N1CCCCC1CO
InChIInChI=1S/C14H28N2O3S/c17-12-14-9-3-4-11-16(14)20(18,19)15-10-5-8-13-6-1-2-7-13/h13-15,17H,1-12H2
InChIKeyKZKWVDXFSQKESK-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.64
Rot. Bonds7

About N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide

N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide (PubChem CID 106014558) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
PubChem CID106014558
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)N1CCCCC1CO
InChIInChI=1S/C14H28N2O3S/c17-12-14-9-3-4-11-16(14)20(18,19)15-10-5-8-13-6-1-2-7-13/h13-15,17H,1-12H2
InChIKeyKZKWVDXFSQKESK-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.64
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

2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
CID 131901098
N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 104538446
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylpiperazine-1-sulfonamide
CID 131932700
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide (CID 106014558) is N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide is O=S(=O)(NCCCC1CCCC1)N1CCCCC1CO.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide?
The InChIKey is KZKWVDXFSQKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c17-12-14-9-3-4-11-16(14)20(18,19)15-10-5-8-13-6-1-2-7-13/h13-15,17H,1-12H2.
What are the key properties of N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide?
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106014558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).