N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H24N4O4S — CID 119665699

IUPACN-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H24N4O4S/c1-2-3-5-11(10-17)18-15(21)12-6-4-9-19(12)16(22)13-7-8-14(25-13)20(23)24/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,21)
InChIKeyCQWLPICEEMSZCC-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.89
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 119665699) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID119665699
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H24N4O4S/c1-2-3-5-11(10-17)18-15(21)12-6-4-9-19(12)16(22)13-7-8-14(25-13)20(23)24/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,21)
InChIKeyCQWLPICEEMSZCC-UHFFFAOYSA-N
XLogP1.89
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 119667834
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119667208
N-(2-amino-2-phenylethyl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119527887
1-(5-nitrothiophene-2-carbonyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119445780
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(5-nitrothiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 120808177
[3-(methylaminomethyl)piperidin-1-yl]-[1-(5-nitrothiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119395700
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119665150
(2S)-1-(5-nitrothiophene-2-carbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 95765280
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-nitrothiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 120656988
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 119665699) is N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CQWLPICEEMSZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-2-3-5-11(10-17)18-15(21)12-6-4-9-19(12)16(22)13-7-8-14(25-13)20(23)24/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,21).
What are the key properties of N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119665699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).