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

C11H18N4O2S — CID 122353047

IUPACN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)13-9-10-5-6-12-11(14-10)15-7-3-2-4-8-15/h5-6,13H,2-4,7-9H2,1H3
InChIKeyQZXZFZKDDURWEX-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.52
Rot. Bonds4

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

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 122353047) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID122353047
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)13-9-10-5-6-12-11(14-10)15-7-3-2-4-8-15/h5-6,13H,2-4,7-9H2,1H3
InChIKeyQZXZFZKDDURWEX-UHFFFAOYSA-N
XLogP0.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 91967200
5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353235
1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
5-chloro-2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353239
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
2,4-diethoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353321
N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634221
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (CID 122353047) is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is QZXZFZKDDURWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-18(16,17)13-9-10-5-6-12-11(14-10)15-7-3-2-4-8-15/h5-6,13H,2-4,7-9H2,1H3.
What are the key properties of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122353047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).