4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide

C12H16N2O2S2 — CID 43533575

IUPAC4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
SMILESCC(NS(=O)(=O)c1ccc(C(N)=S)cc1)C1CC1
InChIInChI=1S/C12H16N2O2S2/c1-8(9-2-3-9)14-18(15,16)11-6-4-10(5-7-11)12(13)17/h4-9,14H,2-3H2,1H3,(H2,13,17)
InChIKeyUXNHMGNTGOXGPW-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.40
Rot. Bonds5

About 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide

4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide (PubChem CID 43533575) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
PubChem CID43533575
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
SMILESCC(NS(=O)(=O)c1ccc(C(N)=S)cc1)C1CC1
InChIInChI=1S/C12H16N2O2S2/c1-8(9-2-3-9)14-18(15,16)11-6-4-10(5-7-11)12(13)17/h4-9,14H,2-3H2,1H3,(H2,13,17)
InChIKeyUXNHMGNTGOXGPW-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
4-(dicyclopropylmethylsulfamoyl)-2-methylbenzenecarbothioamide
CID 106920118
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-(2,3-dimethylbutylsulfamoyl)benzenecarbothioamide
CID 64597912

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide?
The IUPAC name of 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide (CID 43533575) is 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide.
What is the SMILES notation for 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide?
The canonical SMILES for 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide is CC(NS(=O)(=O)c1ccc(C(N)=S)cc1)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide?
The InChIKey is UXNHMGNTGOXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-8(9-2-3-9)14-18(15,16)11-6-4-10(5-7-11)12(13)17/h4-9,14H,2-3H2,1H3,(H2,13,17).
What are the key properties of 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide?
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide has a molecular weight of 284.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide is sourced from PubChem (CID 43533575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).