[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol

C14H29NOS — CID 107764670

IUPAC[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
SMILESCCCCCSC1CCCC(CO)(NCC)C1
InChIInChI=1S/C14H29NOS/c1-3-5-6-10-17-13-8-7-9-14(11-13,12-16)15-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeyLCASYHXRUSDMPL-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.19
Rot. Bonds8

About [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol

[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol (PubChem CID 107764670) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
PubChem CID107764670
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
SMILESCCCCCSC1CCCC(CO)(NCC)C1
InChIInChI=1S/C14H29NOS/c1-3-5-6-10-17-13-8-7-9-14(11-13,12-16)15-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeyLCASYHXRUSDMPL-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol (CID 107764670) is [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol is CCCCCSC1CCCC(CO)(NCC)C1.
What is the InChIKey of [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol?
The InChIKey is LCASYHXRUSDMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-5-6-10-17-13-8-7-9-14(11-13,12-16)15-4-2/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol?
[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol has a molecular weight of 259.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol is sourced from PubChem (CID 107764670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).