[1-(2-methylsulfanylethylamino)cyclohexyl]methanol

C10H21NOS — CID 115909619

IUPAC[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
SMILESCSCCNC1(CO)CCCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-7-11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3
InChIKeyDSCPMIHMFVTMFG-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds5

About [1-(2-methylsulfanylethylamino)cyclohexyl]methanol

[1-(2-methylsulfanylethylamino)cyclohexyl]methanol (PubChem CID 115909619) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is [1-(2-methylsulfanylethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
PubChem CID115909619
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
SMILESCSCCNC1(CO)CCCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-7-11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3
InChIKeyDSCPMIHMFVTMFG-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(2-methylsulfanylethylamino)cyclohexyl]methanol (CID 115909619) is [1-(2-methylsulfanylethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-methylsulfanylethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(2-methylsulfanylethylamino)cyclohexyl]methanol is CSCCNC1(CO)CCCCC1.
What is the InChIKey of [1-(2-methylsulfanylethylamino)cyclohexyl]methanol?
The InChIKey is DSCPMIHMFVTMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-8-7-11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3.
What are the key properties of [1-(2-methylsulfanylethylamino)cyclohexyl]methanol?
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylethylamino)cyclohexyl]methanol is sourced from PubChem (CID 115909619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).