ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene

C14H24O3S — CID 145380405

IUPACethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
SMILESCC.COCCS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H18O3S.C2H6/c1-10(2)11-4-6-12(7-5-11)16(13,14)9-8-15-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyTWBCTCZZLIHMDO-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.26
Rot. Bonds5

About ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene

ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene (PubChem CID 145380405) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
PubChem CID145380405
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Nameethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
SMILESCC.COCCS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H18O3S.C2H6/c1-10(2)11-4-6-12(7-5-11)16(13,14)9-8-15-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyTWBCTCZZLIHMDO-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
ethane;1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665963
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
(4-propan-2-ylphenyl) 2-methoxyethanesulfonate
CID 162765465
[4-(2-methoxyethylsulfonyl)phenyl]boronic acid
CID 67229169
1-(3,3-diethoxypropylsulfonyl)-4-propan-2-ylbenzene
CID 64642505
4-(4-propan-2-ylphenyl)sulfonylbutanenitrile
CID 64692191
3-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]butanoic acid
CID 119220935
5-(4-propan-2-ylphenyl)sulfonylpentanoic acid
CID 28971936
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
4-[2-(3-methoxypropoxy)ethylsulfonyl]aniline
CID 103182208
methyl 2,2-dimethyl-3-(4-propan-2-ylphenyl)sulfonylpropanoate
CID 79629481

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene (CID 145380405) is ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene is CC.COCCS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene?
The InChIKey is TWBCTCZZLIHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S.C2H6/c1-10(2)11-4-6-12(7-5-11)16(13,14)9-8-15-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene?
ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene has a molecular weight of 272.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 145380405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).