1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide

C11H14N2O3S — CID 162436350

IUPAC1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)C(c1noc2ccccc12)S(N)(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-7(2)11(17(12,14)15)10-8-5-3-4-6-9(8)16-13-10/h3-7,11H,1-2H3,(H2,12,14,15)
InChIKeyBKOAVHXSTFZICY-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.81
Rot. Bonds3

About 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide

1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide (PubChem CID 162436350) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
PubChem CID162436350
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)C(c1noc2ccccc12)S(N)(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-7(2)11(17(12,14)15)10-8-5-3-4-6-9(8)16-13-10/h3-7,11H,1-2H3,(H2,12,14,15)
InChIKeyBKOAVHXSTFZICY-UHFFFAOYSA-N
XLogP1.81
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)ethanesulfinamide
CID 166937430
1-(1,2-benzoxazol-3-yl)propane-1-sulfonic acid
CID 167261210
[1,2-benzoxazol-3-yl(chloro)methyl]-imino-oxo-phenyl-λ6-sulfane
CID 12631887
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
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
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
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)-2-methylpropane-1-sulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide (CID 162436350) is 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide is CC(C)C(c1noc2ccccc12)S(N)(=O)=O.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is BKOAVHXSTFZICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7(2)11(17(12,14)15)10-8-5-3-4-6-9(8)16-13-10/h3-7,11H,1-2H3,(H2,12,14,15).
What are the key properties of 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide?
1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 162436350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).