3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide

C12H22N4O2S — CID 95609241

IUPAC3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C12H22N4O2S/c13-19(17,18)10-4-8-15-7-2-1-5-12(15)11-16-9-3-6-14-16/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H2,13,17,18)/t12-/m0/s1
InChIKeyNOAFJLNPULDNOL-LBPRGKRZSA-N
MW286.40 g/mol
LogP0.42
Rot. Bonds6

About 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide

3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 95609241) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID95609241
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C12H22N4O2S/c13-19(17,18)10-4-8-15-7-2-1-5-12(15)11-16-9-3-6-14-16/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H2,13,17,18)/t12-/m0/s1
InChIKeyNOAFJLNPULDNOL-LBPRGKRZSA-N
XLogP0.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95610028
1-[[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95313531
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 95344084
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
3-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95609452
2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56802310
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide (CID 95609241) is 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide is NS(=O)(=O)CCCN1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is NOAFJLNPULDNOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N4O2S/c13-19(17,18)10-4-8-15-7-2-1-5-12(15)11-16-9-3-6-14-16/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H2,13,17,18)/t12-/m0/s1.
What are the key properties of 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 95609241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).