5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide

C12H18N2O2S3 — CID 106272096

IUPAC5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCCCC1(CNS(=O)(=O)c2ccc(C(N)=S)s2)CC1
InChIInChI=1S/C12H18N2O2S3/c1-2-5-12(6-7-12)8-14-19(15,16)10-4-3-9(18-10)11(13)17/h3-4,14H,2,5-8H2,1H3,(H2,13,17)
InChIKeyXKTAFBXCWLFCKM-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.24
Rot. Bonds7

About 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide

5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106272096) has the molecular formula C12H18N2O2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106272096
Molecular FormulaC12H18N2O2S3
Molecular Weight318.49 g/mol
Exact Mass318.05
IUPAC Name5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCCCC1(CNS(=O)(=O)c2ccc(C(N)=S)s2)CC1
InChIInChI=1S/C12H18N2O2S3/c1-2-5-12(6-7-12)8-14-19(15,16)10-4-3-9(18-10)11(13)17/h3-4,14H,2,5-8H2,1H3,(H2,13,17)
InChIKeyXKTAFBXCWLFCKM-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
CID 106271155
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide (CID 106272096) is 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide is CCCC1(CNS(=O)(=O)c2ccc(C(N)=S)s2)CC1.
What is the InChIKey of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is XKTAFBXCWLFCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S3/c1-2-5-12(6-7-12)8-14-19(15,16)10-4-3-9(18-10)11(13)17/h3-4,14H,2,5-8H2,1H3,(H2,13,17).
What are the key properties of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide?
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 318.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106272096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).