3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide

C11H21NO3S — CID 79451088

IUPAC3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCOCCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO3S/c1-15-5-2-4-11(8-12-9-11)10-3-6-16(13,14)7-10/h10,12H,2-9H2,1H3
InChIKeyHZRIHWKUFXZCAP-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.44
Rot. Bonds5

About 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide

3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 79451088) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID79451088
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCOCCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO3S/c1-15-5-2-4-11(8-12-9-11)10-3-6-16(13,14)7-10/h10,12H,2-9H2,1H3
InChIKeyHZRIHWKUFXZCAP-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
CID 79451711
3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79451508
3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 103985370
3-[3-(2-propan-2-ylsulfonylethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 106734964
3-[3-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 103019129
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79451612
3-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79452117
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
CID 7128966
3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452321
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
3-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452118

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide (CID 79451088) is 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide is COCCCC1(C2CCS(=O)(=O)C2)CNC1.
What is the InChIKey of 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is HZRIHWKUFXZCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-15-5-2-4-11(8-12-9-11)10-3-6-16(13,14)7-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 79451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).