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

C10H21NO2S — CID 59882509

IUPAC3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(C(C)S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)11-6-10(4,7-11)9(3)14(5,12)13/h8-9H,6-7H2,1-5H3
InChIKeyXRDKMVWUWMIMTQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

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

3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine (PubChem CID 59882509) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine
PubChem CID59882509
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(C(C)S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)11-6-10(4,7-11)9(3)14(5,12)13/h8-9H,6-7H2,1-5H3
InChIKeyXRDKMVWUWMIMTQ-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-Tetramethyl-1-(2-methylsulfonylethyl)azetidine
CID 71861019
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793
3-(3-Propan-2-ylazetidin-1-yl)thietane 1,1-dioxide
CID 68067988
6-Propan-2-yl-1lambda6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 68340550
N-tert-butyl-3,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 89842284
6-Tert-butyl-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 90364698
1-(2,2-Dimethylpropyl)-3-methylsulfonylazetidine
CID 118596345
1-(2-Methylsulfonylethyl)-3-propan-2-ylazetidine
CID 122414288
3-Ethylsulfonyl-1-propan-2-ylazetidine
CID 122414290
3-(Ethylsulfonylmethyl)-1-propan-2-ylazetidine
CID 122414291
3-(Methylsulfonylmethyl)-1-propan-2-ylazetidine
CID 122414292
1-Tert-butyl-3-methylsulfonylazetidine
CID 126763961

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine (CID 59882509) is 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine is CC(C)N1CC(C)(C(C)S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine?
The InChIKey is XRDKMVWUWMIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)11-6-10(4,7-11)9(3)14(5,12)13/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine?
3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-methylsulfonylethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 59882509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).