3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol

C9H19NO3S — CID 106729226

IUPAC3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
SMILESCCCS(=O)(=O)CCN1CC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-3-5-14(12,13)6-4-10-7-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyRRWJNZAKYSEQIL-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds5

About 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol

3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol (PubChem CID 106729226) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
PubChem CID106729226
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
SMILESCCCS(=O)(=O)CCN1CC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-3-5-14(12,13)6-4-10-7-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyRRWJNZAKYSEQIL-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120773462
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
1-propylsulfonylpropane
CID 11709
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol?
The IUPAC name of 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol (CID 106729226) is 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol?
The canonical SMILES for 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol is CCCS(=O)(=O)CCN1CC(C)(O)C1.
What is the InChIKey of 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol?
The InChIKey is RRWJNZAKYSEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-5-14(12,13)6-4-10-7-9(2,11)8-10/h11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol?
3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol is sourced from PubChem (CID 106729226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).