(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine

C8H10N2O2S — CID 131198377

IUPAC(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
SMILESN[C@@H](c1csc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-7(10(11)12)13-4-6/h3-5,8H,1-2,9H2/t8-/m1/s1
InChIKeyVKMUHDZSJDJZIB-MRVPVSSYSA-N
MW198.25 g/mol
LogP2.07
Rot. Bonds3

About (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine

(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine (PubChem CID 131198377) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
PubChem CID131198377
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
SMILESN[C@@H](c1csc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-7(10(11)12)13-4-6/h3-5,8H,1-2,9H2/t8-/m1/s1
InChIKeyVKMUHDZSJDJZIB-MRVPVSSYSA-N
XLogP2.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine 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

(1S)-2,2-dimethyl-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 131101321
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
(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
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol;hydrochloride
CID 171216718
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
CID 130987742
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171236339
(1R)-1-(5-nitrothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171216682
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
N-(1-cyclopropylethyl)-5-nitrothiophene-3-carboxamide
CID 47242608
(1R)-4,4,4-trifluoro-1-(5-nitrothiophen-3-yl)butan-1-amine;hydrochloride
CID 171216694

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine?
The IUPAC name of (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine (CID 131198377) is (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine.
What is the SMILES notation for (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine?
The canonical SMILES for (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine is N[C@@H](c1csc([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine?
The InChIKey is VKMUHDZSJDJZIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-7(10(11)12)13-4-6/h3-5,8H,1-2,9H2/t8-/m1/s1.
What are the key properties of (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine?
(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine has a molecular weight of 198.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine is sourced from PubChem (CID 131198377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).