4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide

C16H24N2S — CID 81276546

IUPAC4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
SMILESCc1cc(NCCC2CCCCC2)ccc1C(N)=S
InChIInChI=1S/C16H24N2S/c1-12-11-14(7-8-15(12)16(17)19)18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3,(H2,17,19)
InChIKeySJUYGOMEWRWDHM-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.01
Rot. Bonds5

About 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide

4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide (PubChem CID 81276546) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
PubChem CID81276546
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
SMILESCc1cc(NCCC2CCCCC2)ccc1C(N)=S
InChIInChI=1S/C16H24N2S/c1-12-11-14(7-8-15(12)16(17)19)18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3,(H2,17,19)
InChIKeySJUYGOMEWRWDHM-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[2-(3-methylcyclohexyl)ethylamino]benzenecarbothioamide
CID 81277917
4-(cyclopropylmethylamino)-2-methylbenzenecarbothioamide
CID 81278832
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
2-methyl-4-(2,2,2-trifluoroethylamino)benzenecarbothioamide
CID 81278451
4-(cyclopentylamino)-2-methylbenzenecarbothioamide
CID 81278916
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
2-chloro-4-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515849
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
CID 55223628
4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbenzenecarbothioamide
CID 81275873
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbenzenecarbothioamide
CID 81278583

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide?
The IUPAC name of 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide (CID 81276546) is 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide?
The canonical SMILES for 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide is Cc1cc(NCCC2CCCCC2)ccc1C(N)=S.
What is the InChIKey of 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide?
The InChIKey is SJUYGOMEWRWDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-11-14(7-8-15(12)16(17)19)18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3,(H2,17,19).
What are the key properties of 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide?
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide has a molecular weight of 276.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide is sourced from PubChem (CID 81276546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).