2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane

C12H19NOS — CID 12033918

IUPAC2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCC(C)(C)CN=S(C)(=O)c1ccccc1
InChIInChI=1S/C12H19NOS/c1-12(2,3)10-13-15(4,14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyPKMDGRJYOOBLJN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.19
Rot. Bonds2

About 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane

2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 12033918) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID12033918
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCC(C)(C)CN=S(C)(=O)c1ccccc1
InChIInChI=1S/C12H19NOS/c1-12(2,3)10-13-15(4,14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyPKMDGRJYOOBLJN-UHFFFAOYSA-N
XLogP3.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl phenyl sulfoxide
CID 14516
N-Methyl-S,S-diphenylsulfoximine
CID 374284
(R)-methyl phenyl sulfoxide
CID 11410727
(R)-(-)-S-Methyl-S-phenylsulfoximine
CID 25036286
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
Benzene, [(S)-methylsulfinyl]-
CID 11040784
[(E)-4-isothiocyanatobut-1-enyl]sulfinylbenzene
CID 134216299
(Methylsulfonimidoyl)benzene
CID 290021
Methyl(methylimino)(phenyl)-lambda6-sulfanone
CID 519772
Tert-butyl phenyl sulfoxide
CID 138141
Ethyl(imino)phenyl-lambda6-sulfanone
CID 12463935
(S)-(+)-S-Methyl-S-phenylsulfoximine
CID 25036288

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane (CID 12033918) is 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane is CC(C)(C)CN=S(C)(=O)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is PKMDGRJYOOBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2,3)10-13-15(4,14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane?
2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 225.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylimino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 12033918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).