2-cyclohexylethanethioamide

C8H15NS — CID 18755158

IUPAC2-cyclohexylethanethioamide
SMILESNC(=S)CC1CCCCC1
InChIInChI=1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)
InChIKeyOEUGOZGOSIBTRU-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.24
Rot. Bonds2

About 2-cyclohexylethanethioamide

2-cyclohexylethanethioamide (PubChem CID 18755158) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-cyclohexylethanethioamide.

Molecular Properties

Compound Name2-cyclohexylethanethioamide
PubChem CID18755158
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-cyclohexylethanethioamide
SMILESNC(=S)CC1CCCCC1
InChIInChI=1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)
InChIKeyOEUGOZGOSIBTRU-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethanethioamide
CID 22140983
2-cyclopropylethanethioamide
CID 22140960
2-cyclodecylacetamide
CID 150110792
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2-cyclohexyl-N'-methylethanimidamide
CID 130678198
(cyclohexylmethylamino)thiourea
CID 90036108
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
CID 114191209
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
1-cyclohexadecylpropan-2-one
CID 175123721
4-(cyclopentylmethoxy)butanethioamide
CID 66323487

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanethioamide?
The IUPAC name of 2-cyclohexylethanethioamide (CID 18755158) is 2-cyclohexylethanethioamide.
What is the SMILES notation for 2-cyclohexylethanethioamide?
The canonical SMILES for 2-cyclohexylethanethioamide is NC(=S)CC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanethioamide?
The InChIKey is OEUGOZGOSIBTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10).
What are the key properties of 2-cyclohexylethanethioamide?
2-cyclohexylethanethioamide has a molecular weight of 157.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanethioamide is sourced from PubChem (CID 18755158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).