2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C14H22N4O4S — CID 97436873

IUPAC2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[nH]1
InChIInChI=1S/C14H22N4O4S/c1-10-16-9-12(14(20)17-10)13(19)15-7-6-11-5-3-4-8-18(11)23(2,21)22/h9,11H,3-8H2,1-2H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyUMYLDVAGXXACSN-NSHDSACASA-N
MW342.42 g/mol
LogP0.01
Rot. Bonds5

About 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97436873) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97436873
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[nH]1
InChIInChI=1S/C14H22N4O4S/c1-10-16-9-12(14(20)17-10)13(19)15-7-6-11-5-3-4-8-18(11)23(2,21)22/h9,11H,3-8H2,1-2H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyUMYLDVAGXXACSN-NSHDSACASA-N
XLogP0.01
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 91776864
5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 125179595
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 118786414
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125179867
5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
CID 97434697
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138387134
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97436873) is 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UMYLDVAGXXACSN-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-10-16-9-12(14(20)17-10)13(19)15-7-6-11-5-3-4-8-18(11)23(2,21)22/h9,11H,3-8H2,1-2H3,(H,15,19)(H,16,17,20)/t11-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97436873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).