3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C16H30N4O2S — CID 95340423

IUPAC3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cc(C)n(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H30N4O2S/c1-14-12-15(2)20(17-14)13-16-8-5-6-9-19(16)10-7-11-23(21,22)18(3)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeySLLPRSBUVXHKKB-INIZCTEOSA-N
MW342.51 g/mol
LogP1.64
Rot. Bonds7

About 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 95340423) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID95340423
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cc(C)n(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H30N4O2S/c1-14-12-15(2)20(17-14)13-16-8-5-6-9-19(16)10-7-11-23(21,22)18(3)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeySLLPRSBUVXHKKB-INIZCTEOSA-N
XLogP1.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-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

3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 95344084
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95750520
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
CID 124846378
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95602974
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 95340423) is 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is Cc1cc(C)n(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is SLLPRSBUVXHKKB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-14-12-15(2)20(17-14)13-16-8-5-6-9-19(16)10-7-11-23(21,22)18(3)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 95340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).