(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine

C11H16N2O2S — CID 131624660

IUPAC(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])s1)C1CCCCC1
InChIInChI=1S/C11H16N2O2S/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h6-8,11H,1-5,12H2/t11-/m1/s1
InChIKeyMDLKXTMSAIZHNS-LLVKDONJSA-N
MW240.33 g/mol
LogP3.24
Rot. Bonds3

About (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine

(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine (PubChem CID 131624660) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
PubChem CID131624660
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])s1)C1CCCCC1
InChIInChI=1S/C11H16N2O2S/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h6-8,11H,1-5,12H2/t11-/m1/s1
InChIKeyMDLKXTMSAIZHNS-LLVKDONJSA-N
XLogP3.24
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.24
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)-cyclohexyl-(5-nitrothiophen-2-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

(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
CID 171251968
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
2-(1-chloroethyl)-5-nitrothiophene
CID 12583139
(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
CID 171216766
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
(1S)-3,3,3-trifluoro-1-(5-nitrothiophen-2-yl)propan-1-amine
CID 171236380

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine?
The IUPAC name of (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine (CID 131624660) is (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine.
What is the SMILES notation for (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine?
The canonical SMILES for (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine is N[C@@H](c1ccc([N+](=O)[O-])s1)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine?
The InChIKey is MDLKXTMSAIZHNS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h6-8,11H,1-5,12H2/t11-/m1/s1.
What are the key properties of (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine?
(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine is sourced from PubChem (CID 131624660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).