3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide

C13H22N4O4S — CID 167946242

IUPAC3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(NC(=O)c2cn(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O4S/c1-9(2)22(20,21)17-6-4-10(5-7-17)14-12(18)11-8-16(3)13(19)15-11/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyYXNNXKXLWPCOES-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.35
Rot. Bonds4

About 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide

3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 167946242) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide
PubChem CID167946242
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(NC(=O)c2cn(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O4S/c1-9(2)22(20,21)17-6-4-10(5-7-17)14-12(18)11-8-16(3)13(19)15-11/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyYXNNXKXLWPCOES-UHFFFAOYSA-N
XLogP-0.35
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide (CID 167946242) is 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide is CC(C)S(=O)(=O)N1CCC(NC(=O)c2cn(C)c(=O)[nH]2)CC1.
What is the InChIKey of 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is YXNNXKXLWPCOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9(2)22(20,21)17-6-4-10(5-7-17)14-12(18)11-8-16(3)13(19)15-11/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167946242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).