(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide

C12H22N4O2S — CID 94021637

IUPAC(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCCCn2cccn2)C1
InChIInChI=1S/C12H22N4O2S/c1-12-5-2-10-16(11-12)19(17,18)14-7-4-9-15-8-3-6-13-15/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3/t12-/m0/s1
InChIKeyDCVJONGZWFYHTM-LBPRGKRZSA-N
MW286.40 g/mol
LogP0.84
Rot. Bonds6

About (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide

(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide (PubChem CID 94021637) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
PubChem CID94021637
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCCCn2cccn2)C1
InChIInChI=1S/C12H22N4O2S/c1-12-5-2-10-16(11-12)19(17,18)14-7-4-9-15-8-3-6-13-15/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3/t12-/m0/s1
InChIKeyDCVJONGZWFYHTM-LBPRGKRZSA-N
XLogP0.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-pyrazol-1-ylmethyl)piperidine
CID 28063741
4-(2-(1H-Pyrazol-1-yl)ethyl)piperidine
CID 28064142
4-((1H-Pyrazol-1-YL)methyl)piperidine hydrochloride
CID 66617726
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 45806340
4-(1H-pyrazol-1-ylmethyl)piperidine dihydrochloride
CID 54759129
4-((1H-pyrazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 73167590
N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 37622508
N,4-dimethyl-N-(1-methylpyrazol-3-yl)piperidine-1-sulfonamide
CID 126798316
N-[(1-{[isopropyl(methyl)amino]sulfonyl}piperidin-4-yl)methyl]-4-(1H-pyrazol-1-yl)butanamide
CID 131934613
N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine
CID 70435081
3-Fluoro-3-(pyrazol-1-ylmethyl)piperidine
CID 84659180
4-Fluoro-4-(pyrazol-1-ylmethyl)piperidine
CID 84659182

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide (CID 94021637) is (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NCCCn2cccn2)C1.
What is the InChIKey of (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The InChIKey is DCVJONGZWFYHTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-12-5-2-10-16(11-12)19(17,18)14-7-4-9-15-8-3-6-13-15/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
(3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 94021637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).