1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine

C9H19NO2S — CID 122414288

IUPAC1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-6-10(7-9)4-5-13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyXPNGPRTWHHGMGU-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.62
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine

1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine (PubChem CID 122414288) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
PubChem CID122414288
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-6-10(7-9)4-5-13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyXPNGPRTWHHGMGU-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
CID 136548119
2,2,3,3-Tetramethyl-1-(2-methylsulfonylethyl)azetidine
CID 71861019
N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 20811859
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
3-Ethyl-1-propan-2-ylsulfonylazetidine
CID 59266024
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
N-ethyl-N-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 59761603
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793
N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine
CID 59761857
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
1-(3-Methylbutyl)-3-methylsulfinylazetidine
CID 59762172
3-Methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine
CID 59882509

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine (CID 122414288) is 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine is CC(C)C1CN(CCS(C)(=O)=O)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
The InChIKey is XPNGPRTWHHGMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9-6-10(7-9)4-5-13(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine?
1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 122414288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).