4-(4-methylcyclohexyl)oxybutanethioamide

C11H21NOS — CID 24697517

IUPAC4-(4-methylcyclohexyl)oxybutanethioamide
SMILESCC1CCC(OCCCC(N)=S)CC1
InChIInChI=1S/C11H21NOS/c1-9-4-6-10(7-5-9)13-8-2-3-11(12)14/h9-10H,2-8H2,1H3,(H2,12,14)
InChIKeyJTFBBKUKUMSFKO-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.65
Rot. Bonds5

About 4-(4-methylcyclohexyl)oxybutanethioamide

4-(4-methylcyclohexyl)oxybutanethioamide (PubChem CID 24697517) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxybutanethioamide.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxybutanethioamide
PubChem CID24697517
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(4-methylcyclohexyl)oxybutanethioamide
SMILESCC1CCC(OCCCC(N)=S)CC1
InChIInChI=1S/C11H21NOS/c1-9-4-6-10(7-5-9)13-8-2-3-11(12)14/h9-10H,2-8H2,1H3,(H2,12,14)
InChIKeyJTFBBKUKUMSFKO-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxybutanethioamide?
The IUPAC name of 4-(4-methylcyclohexyl)oxybutanethioamide (CID 24697517) is 4-(4-methylcyclohexyl)oxybutanethioamide.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxybutanethioamide?
The canonical SMILES for 4-(4-methylcyclohexyl)oxybutanethioamide is CC1CCC(OCCCC(N)=S)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxybutanethioamide?
The InChIKey is JTFBBKUKUMSFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-4-6-10(7-5-9)13-8-2-3-11(12)14/h9-10H,2-8H2,1H3,(H2,12,14).
What are the key properties of 4-(4-methylcyclohexyl)oxybutanethioamide?
4-(4-methylcyclohexyl)oxybutanethioamide has a molecular weight of 215.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxybutanethioamide is sourced from PubChem (CID 24697517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).