1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine

C14H21NS — CID 66064798

IUPAC1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)C2CCCC2)cc1
InChIInChI=1S/C14H21NS/c1-11-6-8-13(9-7-11)16-10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3
InChIKeyISNRZVXJJLNPKX-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.60
Rot. Bonds4

About 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine

1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66064798) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66064798
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)C2CCCC2)cc1
InChIInChI=1S/C14H21NS/c1-11-6-8-13(9-7-11)16-10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3
InChIKeyISNRZVXJJLNPKX-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139592
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine (CID 66064798) is 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is ISNRZVXJJLNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-6-8-13(9-7-11)16-10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine?
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66064798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).