(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane

C10H15NOS — CID 125424557

IUPAC(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC)c1cc(C)ccc1C
InChIInChI=1S/C10H15NOS/c1-4-13(11,12)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3/t13-/m0/s1
InChIKeyBQQVQBDWDIAAEK-ZDUSSCGKSA-N
MW197.30 g/mol
LogP2.73
Rot. Bonds2

About (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane

(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 125424557) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID125424557
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC)c1cc(C)ccc1C
InChIInChI=1S/C10H15NOS/c1-4-13(11,12)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3/t13-/m0/s1
InChIKeyBQQVQBDWDIAAEK-ZDUSSCGKSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
cesium 2,5-dimethylbenzenesulfonate
CID 100951961
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
CID 4163708
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane (CID 125424557) is (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane is [H]N=[S@](=O)(CC)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is BQQVQBDWDIAAEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-13(11,12)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 197.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 125424557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).