1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

C15H24N4O3S — CID 164636168

IUPAC1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC[C@H](NS(=O)(=O)CC3CCC3)C2)n1
InChIInChI=1S/C15H24N4O3S/c1-11-8-14(20)17-15(16-11)19-7-3-6-13(9-19)18-23(21,22)10-12-4-2-5-12/h8,12-13,18H,2-7,9-10H2,1H3,(H,16,17,20)/t13-/m0/s1
InChIKeyJDRCBRWZPPQQED-ZDUSSCGKSA-N
MW340.45 g/mol
LogP0.77
Rot. Bonds5

About 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 164636168) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID164636168
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC[C@H](NS(=O)(=O)CC3CCC3)C2)n1
InChIInChI=1S/C15H24N4O3S/c1-11-8-14(20)17-15(16-11)19-7-3-6-13(9-19)18-23(21,22)10-12-4-2-5-12/h8,12-13,18H,2-7,9-10H2,1H3,(H,16,17,20)/t13-/m0/s1
InChIKeyJDRCBRWZPPQQED-ZDUSSCGKSA-N
XLogP0.77
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (CID 164636168) is 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is Cc1cc(=O)[nH]c(N2CCC[C@H](NS(=O)(=O)CC3CCC3)C2)n1.
What is the InChIKey of 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is JDRCBRWZPPQQED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11-8-14(20)17-15(16-11)19-7-3-6-13(9-19)18-23(21,22)10-12-4-2-5-12/h8,12-13,18H,2-7,9-10H2,1H3,(H,16,17,20)/t13-/m0/s1.
What are the key properties of 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164636168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).