3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide

C10H15N3O4S2 — CID 43581395

IUPAC3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H15N3O4S2/c11-9-7-8(19(12,16)17)1-2-10(9)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6,11H2,(H2,12,16,17)
InChIKeyOCTQCBXINPLYKO-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.85
Rot. Bonds2

About 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide

3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide (PubChem CID 43581395) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
PubChem CID43581395
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H15N3O4S2/c11-9-7-8(19(12,16)17)1-2-10(9)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6,11H2,(H2,12,16,17)
InChIKeyOCTQCBXINPLYKO-UHFFFAOYSA-N
XLogP-0.85
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
CID 43581378
3-amino-4-(1,4-oxazepan-4-yl)benzenesulfonamide
CID 62988486
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzenesulfonamide
CID 103530617
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-aminobenzenesulfonamide
CID 43620180
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
5-methylsulfonyl-2-(1-oxo-1,4-thiazinan-4-yl)aniline
CID 54975253
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline
CID 22752978

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide (CID 43581395) is 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide?
The InChIKey is OCTQCBXINPLYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c11-9-7-8(19(12,16)17)1-2-10(9)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6,11H2,(H2,12,16,17).
What are the key properties of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide?
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43581395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).