(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide

C12H22N4O4S2 — CID 124976343

IUPAC(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O4S2/c1-15(2)22(19,20)16-6-4-5-10(9-16)7-11-12(8-13-14-11)21(3,17)18/h8,10H,4-7,9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyLESPWKPOMISFJG-JTQLQIEISA-N
MW350.47 g/mol
LogP-0.13
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide (PubChem CID 124976343) has the molecular formula C12H22N4O4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
PubChem CID124976343
Molecular FormulaC12H22N4O4S2
Molecular Weight350.47 g/mol
Exact Mass350.11
IUPAC Name(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O4S2/c1-15(2)22(19,20)16-6-4-5-10(9-16)7-11-12(8-13-14-11)21(3,17)18/h8,10H,4-7,9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyLESPWKPOMISFJG-JTQLQIEISA-N
XLogP-0.13
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 124995648
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
4-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]pyrimidine
CID 125021083
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 124986594
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124942284
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
CID 125017567
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide (CID 124976343) is (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is LESPWKPOMISFJG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4O4S2/c1-15(2)22(19,20)16-6-4-5-10(9-16)7-11-12(8-13-14-11)21(3,17)18/h8,10H,4-7,9H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 124976343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).