(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide

C16H24N6O2S — CID 124987790

IUPAC(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCc1nc(-c2ccnn2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C16H24N6O2S/c1-12-18-14(10-15(19-12)16-7-8-17-21(16)4)13-6-5-9-22(11-13)25(23,24)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m0/s1
InChIKeyOINVOLOBGXFWCU-ZDUSSCGKSA-N
MW364.48 g/mol
LogP1.17
Rot. Bonds4

About (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide (PubChem CID 124987790) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
PubChem CID124987790
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCc1nc(-c2ccnn2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C16H24N6O2S/c1-12-18-14(10-15(19-12)16-7-8-17-21(16)4)13-6-5-9-22(11-13)25(23,24)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m0/s1
InChIKeyOINVOLOBGXFWCU-ZDUSSCGKSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide (CID 124987790) is (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide is Cc1nc(-c2ccnn2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is OINVOLOBGXFWCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12-18-14(10-15(19-12)16-7-8-17-21(16)4)13-6-5-9-22(11-13)25(23,24)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 124987790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).