3-propylsulfonyl-1,3-oxazolidine

C6H13NO3S — CID 110740036

IUPAC3-propylsulfonyl-1,3-oxazolidine
SMILESCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C6H13NO3S/c1-2-5-11(8,9)7-3-4-10-6-7/h2-6H2,1H3
InChIKeyWDQDAYNHKZQENH-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.02
Rot. Bonds3

About 3-propylsulfonyl-1,3-oxazolidine

3-propylsulfonyl-1,3-oxazolidine (PubChem CID 110740036) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-propylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-propylsulfonyl-1,3-oxazolidine
PubChem CID110740036
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-propylsulfonyl-1,3-oxazolidine
SMILESCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C6H13NO3S/c1-2-5-11(8,9)7-3-4-10-6-7/h2-6H2,1H3
InChIKeyWDQDAYNHKZQENH-UHFFFAOYSA-N
XLogP0.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylsulfonyl-1,3-oxazolidine
CID 56605842
(4R)-4-methyl-3-methylsulfonyl-1,3-oxazolidine
CID 59903388
(4S)-4-methyl-3-methylsulfonyl-1,3-oxazolidine
CID 59903391
N-(2-methoxyethyl)-N-methylethanesulfonamide
CID 61357211
N-(2-methoxyethyl)-N-methylpropane-1-sulfonamide
CID 61384277
3-Propan-2-ylsulfanyl-1,3-oxazolidine
CID 88749055
1-Ethylsulfonyl-3-methoxypyrrolidine
CID 91803080
3-Ethylsulfonyl-1,3-oxazolidine
CID 110740035
(3R)-1-ethylsulfonyl-3-methoxypyrrolidine
CID 123868571
3-Butylsulfonyl-1,3-oxazolidin-2-one
CID 148699324
3-(Ethoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
CID 169984245
3-Pentylsulfonyl-1,3-oxazolidine
CID 173228991

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonyl-1,3-oxazolidine?
The IUPAC name of 3-propylsulfonyl-1,3-oxazolidine (CID 110740036) is 3-propylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-propylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-propylsulfonyl-1,3-oxazolidine is CCCS(=O)(=O)N1CCOC1.
What is the InChIKey of 3-propylsulfonyl-1,3-oxazolidine?
The InChIKey is WDQDAYNHKZQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-5-11(8,9)7-3-4-10-6-7/h2-6H2,1H3.
What are the key properties of 3-propylsulfonyl-1,3-oxazolidine?
3-propylsulfonyl-1,3-oxazolidine has a molecular weight of 179.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).