5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide

C12H18N2O2S3 — CID 106270793

IUPAC5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H18N2O2S3/c1-8(2)7-14(9-3-4-9)19(15,16)11-6-5-10(18-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17)
InChIKeyJALWFMSBZGEEIZ-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.19
Rot. Bonds6

About 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide

5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270793) has the molecular formula C12H18N2O2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270793
Molecular FormulaC12H18N2O2S3
Molecular Weight318.49 g/mol
Exact Mass318.05
IUPAC Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H18N2O2S3/c1-8(2)7-14(9-3-4-9)19(15,16)11-6-5-10(18-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17)
InChIKeyJALWFMSBZGEEIZ-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270447
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106270467
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270793) is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide is CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is JALWFMSBZGEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S3/c1-8(2)7-14(9-3-4-9)19(15,16)11-6-5-10(18-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17).
What are the key properties of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 318.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).