1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide

C14H19N3O3S — CID 79587386

IUPAC1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3S/c15-13(18)14(16)8-3-4-10(14)7-9-21-12-6-2-1-5-11(12)17(19)20/h1-2,5-6,10H,3-4,7-9,16H2,(H2,15,18)
InChIKeyZFMAXHWGWSBBDU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.06
Rot. Bonds6

About 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide (PubChem CID 79587386) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide
PubChem CID79587386
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3S/c15-13(18)14(16)8-3-4-10(14)7-9-21-12-6-2-1-5-11(12)17(19)20/h1-2,5-6,10H,3-4,7-9,16H2,(H2,15,18)
InChIKeyZFMAXHWGWSBBDU-UHFFFAOYSA-N
XLogP2.06
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
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'}

Analyze 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-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

4-[2-(2-nitrophenyl)sulfanylethyl]piperidine
CID 105061299
2-amino-4-(2-nitrophenyl)sulfanylbutanamide
CID 55143582
1-amino-2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79586848
5-(2-nitrophenyl)sulfanylpentanoic acid
CID 43439334
(2S)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid
CID 13375100
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587862
N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide
CID 54966345
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
1-butylsulfanyl-2-nitrobenzene
CID 12646349
1-(4-fluorophenyl)-3-(2-nitrophenyl)sulfanylpropan-1-one
CID 43793891
1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
CID 79572541
(3aS,6aR)-2-[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681921

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide (CID 79587386) is 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide is NC(=O)C1(N)CCCC1CCSc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The InChIKey is ZFMAXHWGWSBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-13(18)14(16)8-3-4-10(14)7-9-21-12-6-2-1-5-11(12)17(19)20/h1-2,5-6,10H,3-4,7-9,16H2,(H2,15,18).
What are the key properties of 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79587386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).