2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol

C10H21NOS — CID 20760599

IUPAC2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol
SMILESCNC1CCC(CSCCO)CC1
InChIInChI=1S/C10H21NOS/c1-11-10-4-2-9(3-5-10)8-13-7-6-12/h9-12H,2-8H2,1H3
InChIKeyFYIIYGKJPUKIKN-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol

2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol (PubChem CID 20760599) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol
PubChem CID20760599
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol
SMILESCNC1CCC(CSCCO)CC1
InChIInChI=1S/C10H21NOS/c1-11-10-4-2-9(3-5-10)8-13-7-6-12/h9-12H,2-8H2,1H3
InChIKeyFYIIYGKJPUKIKN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol (CID 20760599) is 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol is CNC1CCC(CSCCO)CC1.
What is the InChIKey of 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol?
The InChIKey is FYIIYGKJPUKIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-11-10-4-2-9(3-5-10)8-13-7-6-12/h9-12H,2-8H2,1H3.
What are the key properties of 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol?
2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)cyclohexyl]methylsulfanyl]ethanol is sourced from PubChem (CID 20760599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).