2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide

C12H16N2O2S2 — CID 43264373

IUPAC2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C12H16N2O2S2/c1-2-14(9-7-8-9)18(15,16)11-6-4-3-5-10(11)12(13)17/h3-6,9H,2,7-8H2,1H3,(H2,13,17)
InChIKeyLAIIMDMOWFNXTH-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.49
Rot. Bonds5

About 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide

2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide (PubChem CID 43264373) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
PubChem CID43264373
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C12H16N2O2S2/c1-2-14(9-7-8-9)18(15,16)11-6-4-3-5-10(11)12(13)17/h3-6,9H,2,7-8H2,1H3,(H2,13,17)
InChIKeyLAIIMDMOWFNXTH-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.49
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

2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
3-[cyclopropyl(ethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743647
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 62546273
2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide
CID 62921929
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
2-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzenecarbothioamide
CID 54995212
2-[methyl(2-methylsulfonylethyl)sulfamoyl]benzenecarbothioamide
CID 79858546
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
2-[(4-ethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61470175

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide (CID 43264373) is 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide is CCN(C1CC1)S(=O)(=O)c1ccccc1C(N)=S.
What is the InChIKey of 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is LAIIMDMOWFNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-2-14(9-7-8-9)18(15,16)11-6-4-3-5-10(11)12(13)17/h3-6,9H,2,7-8H2,1H3,(H2,13,17).
What are the key properties of 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide?
2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 284.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 43264373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).