N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide

C15H26N4O2S — CID 136573564

IUPACN-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C15H26N4O2S/c1-18(15-4-2-3-5-15)22(20,21)19-10-7-13(8-11-19)12-14-6-9-16-17-14/h6,9,13,15H,2-5,7-8,10-12H2,1H3,(H,16,17)
InChIKeyHKQGJTFONYOTIF-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.78
Rot. Bonds5

About N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide

N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide (PubChem CID 136573564) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide
PubChem CID136573564
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C15H26N4O2S/c1-18(15-4-2-3-5-15)22(20,21)19-10-7-13(8-11-19)12-14-6-9-16-17-14/h6,9,13,15H,2-5,7-8,10-12H2,1H3,(H,16,17)
InChIKeyHKQGJTFONYOTIF-UHFFFAOYSA-N
XLogP1.78
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide (CID 136573564) is N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide is CN(C1CCCC1)S(=O)(=O)N1CCC(Cc2ccn[nH]2)CC1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is HKQGJTFONYOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-18(15-4-2-3-5-15)22(20,21)19-10-7-13(8-11-19)12-14-6-9-16-17-14/h6,9,13,15H,2-5,7-8,10-12H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide?
N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 136573564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).