1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide

C11H18N4O2S — CID 136518722

IUPAC1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
SMILESCc1cnc(N2CCC(S(N)(=O)=O)CC2)nc1C
InChIInChI=1S/C11H18N4O2S/c1-8-7-13-11(14-9(8)2)15-5-3-10(4-6-15)18(12,16)17/h7,10H,3-6H2,1-2H3,(H2,12,16,17)
InChIKeyKAKZWKJXRSGNHT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.35
Rot. Bonds2

About 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide

1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide (PubChem CID 136518722) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
PubChem CID136518722
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
SMILESCc1cnc(N2CCC(S(N)(=O)=O)CC2)nc1C
InChIInChI=1S/C11H18N4O2S/c1-8-7-13-11(14-9(8)2)15-5-3-10(4-6-15)18(12,16)17/h7,10H,3-6H2,1-2H3,(H2,12,16,17)
InChIKeyKAKZWKJXRSGNHT-UHFFFAOYSA-N
XLogP0.35
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 75436364
1-(4,5-dimethylpyridazin-3-yl)piperidine-4-sulfonamide
CID 154818775
5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine
CID 90001474
N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 84594920
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 83836775
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465389
N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
1-[5-(methoxymethyl)-4-methylpyrimidin-2-yl]piperidin-4-amine
CID 103278668
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide?
The IUPAC name of 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide (CID 136518722) is 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide is Cc1cnc(N2CCC(S(N)(=O)=O)CC2)nc1C.
What is the InChIKey of 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide?
The InChIKey is KAKZWKJXRSGNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-7-13-11(14-9(8)2)15-5-3-10(4-6-15)18(12,16)17/h7,10H,3-6H2,1-2H3,(H2,12,16,17).
What are the key properties of 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide?
1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 136518722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).