3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide

C12H19ClN4O2S — CID 175662645

IUPAC3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(Cl)nc(C2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C12H19ClN4O2S/c1-9-7-11(13)15-12(14-9)10-5-4-6-17(8-10)20(18,19)16(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyAZEQUCVXAMAMIU-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.42
Rot. Bonds3

About 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide

3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 175662645) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID175662645
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(Cl)nc(C2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C12H19ClN4O2S/c1-9-7-11(13)15-12(14-9)10-5-4-6-17(8-10)20(18,19)16(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyAZEQUCVXAMAMIU-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 124992100
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 95842363
5-[2-[(3R)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 124948268
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
3-(4-chlorophenyl)-N,N-dimethylazepane-1-sulfonamide
CID 121146773
(3R)-N,N-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 125012811
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide (CID 175662645) is 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide is Cc1cc(Cl)nc(C2CCCN(S(=O)(=O)N(C)C)C2)n1.
What is the InChIKey of 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is AZEQUCVXAMAMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-9-7-11(13)15-12(14-9)10-5-4-6-17(8-10)20(18,19)16(2)3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 175662645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).