4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide

C11H15N3O3S2 — CID 114808530

IUPAC4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
SMILESCOc1cc(C(N)=S)ccc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C11H15N3O3S2/c1-17-10-6-7(11(12)18)2-5-9(10)14-19(15,16)13-8-3-4-8/h2,5-6,8,13-14H,3-4H2,1H3,(H2,12,18)
InChIKeyCVGFKRAIYANMCX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.74
Rot. Bonds6

About 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide

4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide (PubChem CID 114808530) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
PubChem CID114808530
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
SMILESCOc1cc(C(N)=S)ccc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C11H15N3O3S2/c1-17-10-6-7(11(12)18)2-5-9(10)14-19(15,16)13-8-3-4-8/h2,5-6,8,13-14H,3-4H2,1H3,(H2,12,18)
InChIKeyCVGFKRAIYANMCX-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
3-methoxy-4-(propan-2-ylsulfonylamino)benzenecarbothioamide
CID 104849487
4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 104849481
2-(cyclopropylsulfamoylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 114808524
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 107790866
N-(4-carbamothioyl-2-methoxyphenyl)-2-methylcyclopentane-1-carboxamide
CID 107178813
4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
1-(4-carbamothioyl-2-methoxyphenyl)-3-propylurea
CID 104849466

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The IUPAC name of 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide (CID 114808530) is 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide is COc1cc(C(N)=S)ccc1NS(=O)(=O)NC1CC1.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide?
The InChIKey is CVGFKRAIYANMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-17-10-6-7(11(12)18)2-5-9(10)14-19(15,16)13-8-3-4-8/h2,5-6,8,13-14H,3-4H2,1H3,(H2,12,18).
What are the key properties of 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide?
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide has a molecular weight of 301.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide is sourced from PubChem (CID 114808530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).