1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide

C11H14N2O3S — CID 12506976

IUPAC1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C11H14N2O3S/c1-8(2)13-17(14,15)7-10-9-5-3-4-6-11(9)16-12-10/h3-6,8,13H,7H2,1-2H3
InChIKeyIRWMJMZUAKQJLF-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 12506976) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID12506976
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C11H14N2O3S/c1-8(2)13-17(14,15)7-10-9-5-3-4-6-11(9)16-12-10/h3-6,8,13H,7H2,1-2H3
InChIKeyIRWMJMZUAKQJLF-UHFFFAOYSA-N
XLogP1.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide (CID 12506976) is 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is IRWMJMZUAKQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(2)13-17(14,15)7-10-9-5-3-4-6-11(9)16-12-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.66, 4 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)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 12506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).