2-(diethylsulfamoylamino)benzenecarbothioamide

C11H17N3O2S2 — CID 28785092

IUPAC2-(diethylsulfamoylamino)benzenecarbothioamide
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C11H17N3O2S2/c1-3-14(4-2)18(15,16)13-10-8-6-5-7-9(10)11(12)17/h5-8,13H,3-4H2,1-2H3,(H2,12,17)
InChIKeyJBEGLILPFXJILM-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.32
Rot. Bonds6

About 2-(diethylsulfamoylamino)benzenecarbothioamide

2-(diethylsulfamoylamino)benzenecarbothioamide (PubChem CID 28785092) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)benzenecarbothioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)benzenecarbothioamide
PubChem CID28785092
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name2-(diethylsulfamoylamino)benzenecarbothioamide
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C11H17N3O2S2/c1-3-14(4-2)18(15,16)13-10-8-6-5-7-9(10)11(12)17/h5-8,13H,3-4H2,1-2H3,(H2,12,17)
InChIKeyJBEGLILPFXJILM-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
2-(3-ethylpentan-3-ylamino)benzenecarbothioamide
CID 65043708
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
2-(butan-2-ylamino)benzenecarbothioamide
CID 43199919
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)benzenecarbothioamide?
The IUPAC name of 2-(diethylsulfamoylamino)benzenecarbothioamide (CID 28785092) is 2-(diethylsulfamoylamino)benzenecarbothioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)benzenecarbothioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)benzenecarbothioamide is CCN(CC)S(=O)(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)benzenecarbothioamide?
The InChIKey is JBEGLILPFXJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-3-14(4-2)18(15,16)13-10-8-6-5-7-9(10)11(12)17/h5-8,13H,3-4H2,1-2H3,(H2,12,17).
What are the key properties of 2-(diethylsulfamoylamino)benzenecarbothioamide?
2-(diethylsulfamoylamino)benzenecarbothioamide has a molecular weight of 287.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)benzenecarbothioamide is sourced from PubChem (CID 28785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).