4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide

C11H14N2O2S2 — CID 43265132

IUPAC4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2O2S2/c1-13(9-4-5-9)17(14,15)10-6-2-8(3-7-10)11(12)16/h2-3,6-7,9H,4-5H2,1H3,(H2,12,16)
InChIKeyMDSNOHSVORRWNH-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.10
Rot. Bonds4

About 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide

4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide (PubChem CID 43265132) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
PubChem CID43265132
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2O2S2/c1-13(9-4-5-9)17(14,15)10-6-2-8(3-7-10)11(12)16/h2-3,6-7,9H,4-5H2,1H3,(H2,12,16)
InChIKeyMDSNOHSVORRWNH-UHFFFAOYSA-N
XLogP1.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.10
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

4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61446796
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
4-[cyclohexyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919946
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 54879331
4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 63515136
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
4-[methyl(3-methylbutyl)sulfamoyl]benzenecarbothioamide
CID 61429361
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide (CID 43265132) is 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide is CN(C1CC1)S(=O)(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is MDSNOHSVORRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-13(9-4-5-9)17(14,15)10-6-2-8(3-7-10)11(12)16/h2-3,6-7,9H,4-5H2,1H3,(H2,12,16).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide?
4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 270.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 43265132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).