2-(cyclohexen-1-yl)ethanethioamide

C8H13NS — CID 82668044

IUPAC2-(cyclohexen-1-yl)ethanethioamide
SMILESNC(=S)CC1=CCCCC1
InChIInChI=1S/C8H13NS/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10)
InChIKeyLMTHYCYAXODBQD-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.16
Rot. Bonds2

About 2-(cyclohexen-1-yl)ethanethioamide

2-(cyclohexen-1-yl)ethanethioamide (PubChem CID 82668044) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethanethioamide
PubChem CID82668044
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(cyclohexen-1-yl)ethanethioamide
SMILESNC(=S)CC1=CCCCC1
InChIInChI=1S/C8H13NS/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10)
InChIKeyLMTHYCYAXODBQD-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
cyclododecen-1-ylmethanamine
CID 70571219
cyclododecen-1-ylmethanol
CID 70464862
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
4-(cyclohexen-1-yl)butanamide
CID 165359181
1-(2-methylbuta-2,3-dienyl)cyclohexene
CID 142934932
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethanethioamide?
The IUPAC name of 2-(cyclohexen-1-yl)ethanethioamide (CID 82668044) is 2-(cyclohexen-1-yl)ethanethioamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethanethioamide?
The canonical SMILES for 2-(cyclohexen-1-yl)ethanethioamide is NC(=S)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethanethioamide?
The InChIKey is LMTHYCYAXODBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10).
What are the key properties of 2-(cyclohexen-1-yl)ethanethioamide?
2-(cyclohexen-1-yl)ethanethioamide has a molecular weight of 155.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethanethioamide is sourced from PubChem (CID 82668044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).