4-(2-cyclopropylsulfonylethyl)oxane

C10H18O3S — CID 123977107

IUPAC4-(2-cyclopropylsulfonylethyl)oxane
SMILESO=S(=O)(CCC1CCOCC1)C1CC1
InChIInChI=1S/C10H18O3S/c11-14(12,10-1-2-10)8-5-9-3-6-13-7-4-9/h9-10H,1-8H2
InChIKeyQIANBHQEDJAVKM-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-cyclopropylsulfonylethyl)oxane

4-(2-cyclopropylsulfonylethyl)oxane (PubChem CID 123977107) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(2-cyclopropylsulfonylethyl)oxane.

Molecular Properties

Compound Name4-(2-cyclopropylsulfonylethyl)oxane
PubChem CID123977107
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-(2-cyclopropylsulfonylethyl)oxane
SMILESO=S(=O)(CCC1CCOCC1)C1CC1
InChIInChI=1S/C10H18O3S/c11-14(12,10-1-2-10)8-5-9-3-6-13-7-4-9/h9-10H,1-8H2
InChIKeyQIANBHQEDJAVKM-UHFFFAOYSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclopropylsulfonylethyl)oxane 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

4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-Cyclopropylsulfonyl-4-methyloxane
CID 58169937
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
4-Methyl-4-(2-methylpropylsulfonyl)oxane
CID 58814935
4-(2,3,3-Trimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253222
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253235
4-(2,3-Dimethylbutan-2-ylsulfonyl)oxane
CID 59253265
2-Tert-butylsulfonyloxane
CID 66634386
4-(2-Methylbutan-2-ylsulfonylmethyl)oxane
CID 66695302

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylsulfonylethyl)oxane?
The IUPAC name of 4-(2-cyclopropylsulfonylethyl)oxane (CID 123977107) is 4-(2-cyclopropylsulfonylethyl)oxane.
What is the SMILES notation for 4-(2-cyclopropylsulfonylethyl)oxane?
The canonical SMILES for 4-(2-cyclopropylsulfonylethyl)oxane is O=S(=O)(CCC1CCOCC1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylsulfonylethyl)oxane?
The InChIKey is QIANBHQEDJAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c11-14(12,10-1-2-10)8-5-9-3-6-13-7-4-9/h9-10H,1-8H2.
What are the key properties of 4-(2-cyclopropylsulfonylethyl)oxane?
4-(2-cyclopropylsulfonylethyl)oxane has a molecular weight of 218.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylsulfonylethyl)oxane is sourced from PubChem (CID 123977107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).