2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide

C17H25NOS — CID 43100670

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
SMILESCC1CCC(C(C)C)C(Oc2ccccc2C(N)=S)C1
InChIInChI=1S/C17H25NOS/c1-11(2)13-9-8-12(3)10-16(13)19-15-7-5-4-6-14(15)17(18)20/h4-7,11-13,16H,8-10H2,1-3H3,(H2,18,20)
InChIKeyJKTMBDXCKZNSCM-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.16
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide

2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide (PubChem CID 43100670) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
PubChem CID43100670
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
SMILESCC1CCC(C(C)C)C(Oc2ccccc2C(N)=S)C1
InChIInChI=1S/C17H25NOS/c1-11(2)13-9-8-12(3)10-16(13)19-15-7-5-4-6-14(15)17(18)20/h4-7,11-13,16H,8-10H2,1-3H3,(H2,18,20)
InChIKeyJKTMBDXCKZNSCM-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
CID 107548365
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
CID 8633
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43098258
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 65342644
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
(5-methyl-2-propan-2-ylcyclohexyl) 3-oxo-2,3-diphenylpropanoate
CID 2750815

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide (CID 43100670) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide is CC1CCC(C(C)C)C(Oc2ccccc2C(N)=S)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide?
The InChIKey is JKTMBDXCKZNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-11(2)13-9-8-12(3)10-16(13)19-15-7-5-4-6-14(15)17(18)20/h4-7,11-13,16H,8-10H2,1-3H3,(H2,18,20).
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide has a molecular weight of 291.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide is sourced from PubChem (CID 43100670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).