N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide

C13H22N4O2S — CID 71807438

IUPACN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-20(18,19)14-10-12-15-11(2)9-13(16-12)17-7-5-4-6-8-17/h9,14H,3-8,10H2,1-2H3
InChIKeyJTQMAZLLJWJSBV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds5

About N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide

N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide (PubChem CID 71807438) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
PubChem CID71807438
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-20(18,19)14-10-12-15-11(2)9-13(16-12)17-7-5-4-6-8-17/h9,14H,3-8,10H2,1-2H3
InChIKeyJTQMAZLLJWJSBV-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
2-Amino-4-piperidino-6-methylpyrimidine
CID 748221
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-amine
CID 4728071
N,N,4-trimethyl-6-(piperazin-1-yl)pyrimidin-2-amine
CID 83707760
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-morpholinopyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807469
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
4-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631573

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide (CID 71807438) is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(C)cc(N2CCCCC2)n1.
What is the InChIKey of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is JTQMAZLLJWJSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-20(18,19)14-10-12-15-11(2)9-13(16-12)17-7-5-4-6-8-17/h9,14H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 71807438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).