(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile

C7H7N3O2S — CID 130987742

IUPAC(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O2S/c8-2-1-6(9)5-3-7(10(11)12)13-4-5/h3-4,6H,1,9H2/t6-/m1/s1
InChIKeyAXUSMGZCWSWGRQ-ZCFIWIBFSA-N
MW197.22 g/mol
LogP1.57
Rot. Bonds3

About (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile

(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile (PubChem CID 130987742) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
PubChem CID130987742
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O2S/c8-2-1-6(9)5-3-7(10(11)12)13-4-5/h3-4,6H,1,9H2/t6-/m1/s1
InChIKeyAXUSMGZCWSWGRQ-ZCFIWIBFSA-N
XLogP1.57
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.57
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'}

Analyze (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile 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

(2S)-2-amino-2-(5-nitrothiophen-3-yl)acetonitrile
CID 131128756
(1S)-3-fluoro-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 171236331
(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol
CID 171236353
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol;hydrochloride
CID 171216718
(1R)-1-(5-nitrothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171216682
(1R)-4,4,4-trifluoro-1-(5-nitrothiophen-3-yl)butan-1-amine;hydrochloride
CID 171216694
(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
CID 171216686
(1R)-1-(5-nitrothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171216705
(3S)-3-(5-nitrothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306463
(3R)-3-(5-nitrothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171307208
(1S)-2,2-dimethyl-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 131101321
(3S)-3-amino-3-[5-(trifluoromethyl)thiophen-3-yl]propanenitrile
CID 130691687

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile (CID 130987742) is (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile is N#CC[C@@H](N)c1csc([N+](=O)[O-])c1.
What is the InChIKey of (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile?
The InChIKey is AXUSMGZCWSWGRQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-2-1-6(9)5-3-7(10(11)12)13-4-5/h3-4,6H,1,9H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile?
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile has a molecular weight of 197.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile is sourced from PubChem (CID 130987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).