4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide

C10H15N3O3S2 — CID 104849481

IUPAC4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
SMILESCOc1cc(C(N)=S)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H15N3O3S2/c1-13(2)18(14,15)12-8-5-4-7(10(11)17)6-9(8)16-3/h4-6,12H,1-3H3,(H2,11,17)
InChIKeyCPEPFQWHPPYVTA-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.55
Rot. Bonds5

About 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide

4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide (PubChem CID 104849481) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
PubChem CID104849481
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
SMILESCOc1cc(C(N)=S)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H15N3O3S2/c1-13(2)18(14,15)12-8-5-4-7(10(11)17)6-9(8)16-3/h4-6,12H,1-3H3,(H2,11,17)
InChIKeyCPEPFQWHPPYVTA-UHFFFAOYSA-N
XLogP0.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide 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

4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
3-methoxy-4-(propan-2-ylsulfonylamino)benzenecarbothioamide
CID 104849487
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
1-(4-carbamothioyl-2-methoxyphenyl)-3-propylurea
CID 104849466
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
CID 107178813
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide (CID 104849481) is 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide is COc1cc(C(N)=S)ccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The InChIKey is CPEPFQWHPPYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-13(2)18(14,15)12-8-5-4-7(10(11)17)6-9(8)16-3/h4-6,12H,1-3H3,(H2,11,17).
What are the key properties of 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide?
4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide has a molecular weight of 289.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide is sourced from PubChem (CID 104849481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).