1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine

C15H22N2O3S — CID 104754647

IUPAC1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
SMILESCCNC(CS(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-2-16-15(12-5-3-4-6-12)11-21(20)14-9-7-13(8-10-14)17(18)19/h7-10,12,15-16H,2-6,11H2,1H3
InChIKeyDRDIFUFVUPGSHX-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.87
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine

1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine (PubChem CID 104754647) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
PubChem CID104754647
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
SMILESCCNC(CS(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-2-16-15(12-5-3-4-6-12)11-21(20)14-9-7-13(8-10-14)17(18)19/h7-10,12,15-16H,2-6,11H2,1H3
InChIKeyDRDIFUFVUPGSHX-UHFFFAOYSA-N
XLogP2.87
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.87
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'}

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Related Compounds

N-ethyl-1-(4-nitrophenyl)sulfinylbutan-2-amine
CID 64653273
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
3,3-dimethyl-1-(4-nitrophenyl)sulfinyl-N-propylbutan-2-amine
CID 64651859
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107001864

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine (CID 104754647) is 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine is CCNC(CS(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine?
The InChIKey is DRDIFUFVUPGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-16-15(12-5-3-4-6-12)11-21(20)14-9-7-13(8-10-14)17(18)19/h7-10,12,15-16H,2-6,11H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine?
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine has a molecular weight of 310.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine is sourced from PubChem (CID 104754647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).