1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine

C17H27NS — CID 104755248

IUPAC1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-13(2)14-8-10-16(11-9-14)19-12-17(18-3)15-6-4-5-7-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyFMIPTOOZBROANZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.68
Rot. Bonds6

About 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine

1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine (PubChem CID 104755248) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
PubChem CID104755248
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-13(2)14-8-10-16(11-9-14)19-12-17(18-3)15-6-4-5-7-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyFMIPTOOZBROANZ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine 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

1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine (CID 104755248) is 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine is CNC(CSc1ccc(C(C)C)cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The InChIKey is FMIPTOOZBROANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13(2)14-8-10-16(11-9-14)19-12-17(18-3)15-6-4-5-7-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine?
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine is sourced from PubChem (CID 104755248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).