(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide

C14H20N2O2S — CID 166529161

IUPAC(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide
SMILESCc1noc2ccc([C@@H](C)N[S@](=O)C(C)(C)C)cc12
InChIInChI=1S/C14H20N2O2S/c1-9(16-19(17)14(3,4)5)11-6-7-13-12(8-11)10(2)15-18-13/h6-9,16H,1-5H3/t9-,19-/m1/s1
InChIKeyLJILGWRDMOZSIA-AYLIAGHASA-N
MW280.39 g/mol
LogP3.25
Rot. Bonds3

About (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 166529161) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide
PubChem CID166529161
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide
SMILESCc1noc2ccc([C@@H](C)N[S@](=O)C(C)(C)C)cc12
InChIInChI=1S/C14H20N2O2S/c1-9(16-19(17)14(3,4)5)11-6-7-13-12(8-11)10(2)15-18-13/h6-9,16H,1-5H3/t9-,19-/m1/s1
InChIKeyLJILGWRDMOZSIA-AYLIAGHASA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zonisamide
CID 5734
1,2-Benzoxazol-3-ylmethanesulfonimidic acid
CID 11967800
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CID 332592
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
3-(Sulfamoylmethyl)-1,2-benzisoxazole sodium salt
CID 23617171
N-Methyl zonisamide
CID 12506974
zonisamide sodium salt
CID 4099656
Zonisamide sodium
CID 23696706
Sodium 3-[(amino-hydroxy-oxido-lambda4-sulfanyl)methyl]-1,2-benzoxazole
CID 52945043
1-[2-(1,2-Benzoxazol-3-yl)phenyl]but-3-en-1-amine
CID 9861160
1-(benzo[d]isoxazol-3-yl)-N-ethylmethanesulfonamide
CID 12506975
1-(benzo[d]isoxazol-3-yl)-N-isopropylmethanesulfonamide
CID 12506976

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide (CID 166529161) is (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide is Cc1noc2ccc([C@@H](C)N[S@](=O)C(C)(C)C)cc12.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is LJILGWRDMOZSIA-AYLIAGHASA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(16-19(17)14(3,4)5)11-6-7-13-12(8-11)10(2)15-18-13/h6-9,16H,1-5H3/t9-,19-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide has a molecular weight of 280.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 166529161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).