2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide

C10H15N3O3S2 — CID 114815185

IUPAC2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
SMILESCOCCNS(=O)(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C10H15N3O3S2/c1-16-7-6-12-18(14,15)13-9-5-3-2-4-8(9)10(11)17/h2-5,12-13H,6-7H2,1H3,(H2,11,17)
InChIKeyDSVXQCIEWMNDFF-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.21
Rot. Bonds7

About 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide

2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide (PubChem CID 114815185) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
PubChem CID114815185
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
SMILESCOCCNS(=O)(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C10H15N3O3S2/c1-16-7-6-12-18(14,15)13-9-5-3-2-4-8(9)10(11)17/h2-5,12-13H,6-7H2,1H3,(H2,11,17)
InChIKeyDSVXQCIEWMNDFF-UHFFFAOYSA-N
XLogP0.21
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815307
N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
CID 114815993
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
CID 114815567
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
2-(2-aminoethylsulfamoylamino)benzoic acid
CID 84761008
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide?
The IUPAC name of 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide (CID 114815185) is 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide.
What is the SMILES notation for 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide?
The canonical SMILES for 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide is COCCNS(=O)(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide?
The InChIKey is DSVXQCIEWMNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-16-7-6-12-18(14,15)13-9-5-3-2-4-8(9)10(11)17/h2-5,12-13H,6-7H2,1H3,(H2,11,17).
What are the key properties of 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide?
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide has a molecular weight of 289.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide is sourced from PubChem (CID 114815185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).