2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane

C13H18O4S — CID 13335027

IUPAC2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane
SMILESCC(CS(=O)(=O)c1ccccc1)C1(C)OCCO1
InChIInChI=1S/C13H18O4S/c1-11(13(2)16-8-9-17-13)10-18(14,15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyZVFAPRHVHFNJTP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane

2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane (PubChem CID 13335027) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane
PubChem CID13335027
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane
SMILESCC(CS(=O)(=O)c1ccccc1)C1(C)OCCO1
InChIInChI=1S/C13H18O4S/c1-11(13(2)16-8-9-17-13)10-18(14,15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyZVFAPRHVHFNJTP-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
CID 18985953
1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
2,2-diethoxyethylsulfonylbenzene
CID 11436831
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane (CID 13335027) is 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane is CC(CS(=O)(=O)c1ccccc1)C1(C)OCCO1.
What is the InChIKey of 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The InChIKey is ZVFAPRHVHFNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-11(13(2)16-8-9-17-13)10-18(14,15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane?
2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane has a molecular weight of 270.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)propan-2-yl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 13335027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).