3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine

C15H22N2O2S — CID 103734615

IUPAC3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-3-20-15-9-6-13(10-15)16-11(2)12-4-7-14(8-5-12)17(18)19/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3
InChIKeyXRRBYQVMNBEULE-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.92
Rot. Bonds6

About 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine

3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine (PubChem CID 103734615) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
PubChem CID103734615
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-3-20-15-9-6-13(10-15)16-11(2)12-4-7-14(8-5-12)17(18)19/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3
InChIKeyXRRBYQVMNBEULE-UHFFFAOYSA-N
XLogP3.92
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.92
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 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine 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

N-[1-(4-nitrophenyl)ethyl]cyclopropanamine
CID 43297230
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711361
3,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,5-dioxecan-8-amine
CID 154525928
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 97102213
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine (CID 103734615) is 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine is CCSC1CCC(NC(C)c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The InChIKey is XRRBYQVMNBEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-20-15-9-6-13(10-15)16-11(2)12-4-7-14(8-5-12)17(18)19/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine has a molecular weight of 294.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103734615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).