2-cyclohexyl-2-phenylethanethioamide

C14H19NS — CID 82082945

IUPAC2-cyclohexyl-2-phenylethanethioamide
SMILESNC(=S)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NS/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,15,16)
InChIKeySRVNJKXVPCWWOF-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.64
Rot. Bonds3

About 2-cyclohexyl-2-phenylethanethioamide

2-cyclohexyl-2-phenylethanethioamide (PubChem CID 82082945) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenylethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-phenylethanethioamide
PubChem CID82082945
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-cyclohexyl-2-phenylethanethioamide
SMILESNC(=S)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NS/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,15,16)
InChIKeySRVNJKXVPCWWOF-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.64
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

(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
CID 82087243
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-(azepan-1-yl)-2-phenylethanethioamide
CID 84758024
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenylethanethioamide?
The IUPAC name of 2-cyclohexyl-2-phenylethanethioamide (CID 82082945) is 2-cyclohexyl-2-phenylethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-phenylethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-phenylethanethioamide is NC(=S)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-phenylethanethioamide?
The InChIKey is SRVNJKXVPCWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,15,16).
What are the key properties of 2-cyclohexyl-2-phenylethanethioamide?
2-cyclohexyl-2-phenylethanethioamide has a molecular weight of 233.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenylethanethioamide is sourced from PubChem (CID 82082945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).