2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide

C9H11N3O2S2 — CID 24710948

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H11N3O2S2/c10-5-6-16(13,14)12-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6,10H2,(H,11,12)
InChIKeyCXZOEOHAWRQZNF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide

2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide (PubChem CID 24710948) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
PubChem CID24710948
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H11N3O2S2/c10-5-6-16(13,14)12-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6,10H2,(H,11,12)
InChIKeyCXZOEOHAWRQZNF-UHFFFAOYSA-N
XLogP1.00
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
CID 28774217
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
CID 60986077
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455882
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide (CID 24710948) is 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide is NCCS(=O)(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The InChIKey is CXZOEOHAWRQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c10-5-6-16(13,14)12-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6,10H2,(H,11,12).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide has a molecular weight of 257.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 24710948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).