1-(1,2-benzoxazol-3-yl)ethanesulfinamide

C9H10N2O2S — CID 166937430

IUPAC1-(1,2-benzoxazol-3-yl)ethanesulfinamide
SMILESCC(c1noc2ccccc12)S(N)=O
InChIInChI=1S/C9H10N2O2S/c1-6(14(10)12)9-7-4-2-3-5-8(7)13-11-9/h2-6H,10H2,1H3
InChIKeyQWPYFJWOTSMRSE-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.51
Rot. Bonds2

About 1-(1,2-benzoxazol-3-yl)ethanesulfinamide

1-(1,2-benzoxazol-3-yl)ethanesulfinamide (PubChem CID 166937430) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)ethanesulfinamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)ethanesulfinamide
PubChem CID166937430
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(1,2-benzoxazol-3-yl)ethanesulfinamide
SMILESCC(c1noc2ccccc12)S(N)=O
InChIInChI=1S/C9H10N2O2S/c1-6(14(10)12)9-7-4-2-3-5-8(7)13-11-9/h2-6H,10H2,1H3
InChIKeyQWPYFJWOTSMRSE-UHFFFAOYSA-N
XLogP1.51
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,2-benzoxazol-3-yl)ethanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
CID 162436350
benzyl 2-(1,2-benzoxazol-3-yl)propanoate
CID 134527830
3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
CID 140994751
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid
CID 82396094
1-(1,2-benzoxazol-3-yl)propane-1-sulfonic acid
CID 167261210
ethyl 2-(1,2-benzoxazol-3-yl)-2-cyanoacetate
CID 14112855
3-[1-(1,2,4-triazol-1-yl)ethyl]-1,2-benzoxazole
CID 14575038
(2S,3R)-3-(1,2-benzoxazol-3-yl)-4-(4-chlorophenyl)butan-2-amine
CID 129383877
N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969995
[1,2-benzoxazol-3-yl(chloro)methyl]-imino-oxo-phenyl-λ6-sulfane
CID 12631887
N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
CID 58951502

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)ethanesulfinamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)ethanesulfinamide (CID 166937430) is 1-(1,2-benzoxazol-3-yl)ethanesulfinamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)ethanesulfinamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)ethanesulfinamide is CC(c1noc2ccccc12)S(N)=O.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)ethanesulfinamide?
The InChIKey is QWPYFJWOTSMRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6(14(10)12)9-7-4-2-3-5-8(7)13-11-9/h2-6H,10H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)ethanesulfinamide?
1-(1,2-benzoxazol-3-yl)ethanesulfinamide has a molecular weight of 210.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)ethanesulfinamide is sourced from PubChem (CID 166937430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).