2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol

C16H25NOS — CID 62014088

IUPAC2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
SMILESCc1ccc(SCCN(CCO)C2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-14-6-8-16(9-7-14)19-13-11-17(10-12-18)15-4-2-3-5-15/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyWSKYCVBWEJCNJN-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.32
Rot. Bonds7

About 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol

2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol (PubChem CID 62014088) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
PubChem CID62014088
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
SMILESCc1ccc(SCCN(CCO)C2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-14-6-8-16(9-7-14)19-13-11-17(10-12-18)15-4-2-3-5-15/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyWSKYCVBWEJCNJN-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol (CID 62014088) is 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol is Cc1ccc(SCCN(CCO)C2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol?
The InChIKey is WSKYCVBWEJCNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-14-6-8-16(9-7-14)19-13-11-17(10-12-18)15-4-2-3-5-15/h6-9,15,18H,2-5,10-13H2,1H3.
What are the key properties of 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol?
2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol has a molecular weight of 279.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol is sourced from PubChem (CID 62014088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).