2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine

C11H14N2OS — CID 104523422

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)Sc1nc2ccccc2o1
InChIInChI=1S/C11H14N2OS/c1-11(2,7-12)15-10-13-8-5-3-4-6-9(8)14-10/h3-6H,7,12H2,1-2H3
InChIKeyFLBZKOPMRJEHJE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.66
Rot. Bonds3

About 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine

2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine (PubChem CID 104523422) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
PubChem CID104523422
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)Sc1nc2ccccc2o1
InChIInChI=1S/C11H14N2OS/c1-11(2,7-12)15-10-13-8-5-3-4-6-9(8)14-10/h3-6H,7,12H2,1-2H3
InChIKeyFLBZKOPMRJEHJE-UHFFFAOYSA-N
XLogP2.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
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3-(aminomethyl)-6-(1,3-benzoxazol-2-ylsulfanyl)hexan-3-ol
CID 106811625
3-(1,3-benzoxazol-2-ylsulfanyl)butan-1-amine
CID 60915392
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
CID 64647808
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine
CID 43530609
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethylsulfanyl]-2,6-ditert-butylphenol
CID 21474688
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552
2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine (CID 104523422) is 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine is CC(C)(CN)Sc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine?
The InChIKey is FLBZKOPMRJEHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(2,7-12)15-10-13-8-5-3-4-6-9(8)14-10/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine?
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 104523422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).