5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide

C14H21N3O2S2 — CID 114614203

IUPAC5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2S2/c15-14(20)13-7-6-12(10-16-13)21(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2,(H2,15,20)
InChIKeyOHPWQJAJUOVLQD-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.96
Rot. Bonds6

About 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide

5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 114614203) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID114614203
Molecular FormulaC14H21N3O2S2
Molecular Weight327.47 g/mol
Exact Mass327.11
IUPAC Name5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2S2/c15-14(20)13-7-6-12(10-16-13)21(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2,(H2,15,20)
InChIKeyOHPWQJAJUOVLQD-UHFFFAOYSA-N
XLogP1.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 114614674
5-[(4-fluorophenyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614024
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide (CID 114614203) is 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NCCC2CCCCC2)cn1.
What is the InChIKey of 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is OHPWQJAJUOVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c15-14(20)13-7-6-12(10-16-13)21(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2,(H2,15,20).
What are the key properties of 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide?
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 327.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 114614203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).