(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C18H26N6O2S — CID 95813591

IUPAC(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-10-14(2)21-18(20-13)22-16-7-8-17(19-11-16)15-6-5-9-24(12-15)27(25,26)23(3)4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,20,21,22)/t15-/m0/s1
InChIKeySGTDMSKUGPJJQF-HNNXBMFYSA-N
MW390.51 g/mol
LogP2.22
Rot. Bonds5

About (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95813591) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95813591
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-10-14(2)21-18(20-13)22-16-7-8-17(19-11-16)15-6-5-9-24(12-15)27(25,26)23(3)4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,20,21,22)/t15-/m0/s1
InChIKeySGTDMSKUGPJJQF-HNNXBMFYSA-N
XLogP2.22
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide with MolForge

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Related Compounds

(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110252370
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110100406
1-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110252329
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
3-(3-chlorophenyl)-1-[(3R)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95813698
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95813591) is (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1.
What is the InChIKey of (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is SGTDMSKUGPJJQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-13-10-14(2)21-18(20-13)22-16-7-8-17(19-11-16)15-6-5-9-24(12-15)27(25,26)23(3)4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95813591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).