4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide

C15H22N2O2S2 — CID 43107449

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O2S2/c1-2-17(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(16)20/h8-11,13H,2-7H2,1H3,(H2,16,20)
InChIKeyNLOQTRASCACGMX-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.66
Rot. Bonds5

About 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide

4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide (PubChem CID 43107449) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
PubChem CID43107449
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O2S2/c1-2-17(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(16)20/h8-11,13H,2-7H2,1H3,(H2,16,20)
InChIKeyNLOQTRASCACGMX-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
CID 43265132
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61446796
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide (CID 43107449) is 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is NLOQTRASCACGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-2-17(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(16)20/h8-11,13H,2-7H2,1H3,(H2,16,20).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide?
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 326.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 43107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).