(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C17H26N6O2S — CID 124948122

IUPAC(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C17H26N6O2S/c1-5-22-15(9-10-18-22)14-12-13(2)19-17(20-14)16-8-6-7-11-23(16)26(24,25)21(3)4/h9-10,12,16H,5-8,11H2,1-4H3/t16-/m0/s1
InChIKeyCKSCINDDDFEFRG-INIZCTEOSA-N
MW378.50 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 124948122) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID124948122
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C17H26N6O2S/c1-5-22-15(9-10-18-22)14-12-13(2)19-17(20-14)16-8-6-7-11-23(16)26(24,25)21(3)4/h9-10,12,16H,5-8,11H2,1-4H3/t16-/m0/s1
InChIKeyCKSCINDDDFEFRG-INIZCTEOSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-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

2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110101091
(2R)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125026555
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948683
N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 110100416
(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125014757
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110100418
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110101210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 124948122) is (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is CKSCINDDDFEFRG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-5-22-15(9-10-18-22)14-12-13(2)19-17(20-14)16-8-6-7-11-23(16)26(24,25)21(3)4/h9-10,12,16H,5-8,11H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 124948122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).