5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide

C13H17N3O4S — CID 99802239

IUPAC5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide
SMILESC[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O
InChIInChI=1S/C13H17N3O4S/c1-9(15-5-3-2-4-11(15)17)7-14-13(18)10-6-12(16(19)20)21-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyUTJLJZVMRGBZOR-SECBINFHSA-N
MW311.36 g/mol
LogP1.79
Rot. Bonds5

About 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide

5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide (PubChem CID 99802239) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide
PubChem CID99802239
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide
SMILESC[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O
InChIInChI=1S/C13H17N3O4S/c1-9(15-5-3-2-4-11(15)17)7-14-13(18)10-6-12(16(19)20)21-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyUTJLJZVMRGBZOR-SECBINFHSA-N
XLogP1.79
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)propyl]-5-nitrothiophene-3-carboxamide
CID 120827836
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
N-(1-cyclopropylethyl)-5-nitrothiophene-3-carboxamide
CID 47242608
5-chloro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 99840939
N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-hydroxy-4-nitrobenzamide
CID 37204760
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
N-(1-amino-2,3-dimethylbutan-2-yl)-5-nitrothiophene-3-carboxamide
CID 81487252
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
N-[1-(4-ethylphenyl)ethyl]-5-nitrothiophene-3-carboxamide
CID 46488694
N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide
CID 99792568
5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 46486849
3-(5-nitrothiophene-3-carbonyl)cyclohexan-1-one
CID 79625627

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide (CID 99802239) is 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide is C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O.
What is the InChIKey of 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide?
The InChIKey is UTJLJZVMRGBZOR-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9(15-5-3-2-4-11(15)17)7-14-13(18)10-6-12(16(19)20)21-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,18)/t9-/m1/s1.
What are the key properties of 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide?
5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 99802239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).