(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide

C12H22N4O2S — CID 164637607

IUPAC(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@H]1CCCN(Cc2nn(C)cc2C)C1
InChIInChI=1S/C12H22N4O2S/c1-10-7-15(3)14-12(10)9-16-6-4-5-11(8-16)19(17,18)13-2/h7,11,13H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyJNLBIPZNNZIFGE-NSHDSACASA-N
MW286.40 g/mol
LogP0.24
Rot. Bonds4

About (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide

(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide (PubChem CID 164637607) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
PubChem CID164637607
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@H]1CCCN(Cc2nn(C)cc2C)C1
InChIInChI=1S/C12H22N4O2S/c1-10-7-15(3)14-12(10)9-16-6-4-5-11(8-16)19(17,18)13-2/h7,11,13H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyJNLBIPZNNZIFGE-NSHDSACASA-N
XLogP0.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875
1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 75427999
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
(1S,6R)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-8-methylsulfonyl-3,8-diazabicyclo[4.2.0]octane
CID 124044316
(1S,6R)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-methylsulfonyl-3,8-diazabicyclo[4.2.0]octane
CID 124044322
1-((1-Ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 17024732
N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide
CID 75386939
4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]thiomorpholine 1,1-dioxide
CID 77088463
N-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 86785241
N-{1-[(1-ethyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 91836825
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide
CID 132970777

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The IUPAC name of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide (CID 164637607) is (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide is CNS(=O)(=O)[C@H]1CCCN(Cc2nn(C)cc2C)C1.
What is the InChIKey of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The InChIKey is JNLBIPZNNZIFGE-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-7-15(3)14-12(10)9-16-6-4-5-11(8-16)19(17,18)13-2/h7,11,13H,4-6,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 164637607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).