(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one

C12H15NOS — CID 134128388

IUPAC(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one
SMILESCSC[C@@]1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H15NOS/c1-12(8-15-3)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m1/s1
InChIKeyFHDBESWCAICXIV-GFCCVEGCSA-N
MW221.33 g/mol
LogP2.28
Rot. Bonds2

About (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one

(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one (PubChem CID 134128388) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one
PubChem CID134128388
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one
SMILESCSC[C@@]1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H15NOS/c1-12(8-15-3)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m1/s1
InChIKeyFHDBESWCAICXIV-GFCCVEGCSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one?
The IUPAC name of (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one (CID 134128388) is (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one is CSC[C@@]1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one?
The InChIKey is FHDBESWCAICXIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NOS/c1-12(8-15-3)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one?
(3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one has a molecular weight of 221.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-3-(methylsulfanylmethyl)indol-2-one is sourced from PubChem (CID 134128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).