1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine

C8H17NO2S — CID 177300168

IUPAC1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine
SMILESCC(C)S(=O)(=O)CC1CN(C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyTYQXPNUTMOFGKI-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.37
Rot. Bonds3

About 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine

1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine (PubChem CID 177300168) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine
PubChem CID177300168
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine
SMILESCC(C)S(=O)(=O)CC1CN(C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyTYQXPNUTMOFGKI-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Butylsulfonyl)-3-(isobutylsulfonyl)azetidine
CID 72719082
3-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
1-Tert-butyl-3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
CID 159142905
3-(Isobutylsulfonyl)-1-(methylsulfonyl)azetidine
CID 72719079
3-(isobutylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
CID 72719110
3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine
CID 56618829
1-Methyl-3-(methylsulfonylmethyl)azetidine
CID 58035128
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777
3-Tert-butylsulfinyl-1-methylazetidine
CID 59522785
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793
1-Tert-butyl-3-(cyclopropylmethylsulfonyl)azetidine
CID 59776846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The IUPAC name of 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine (CID 177300168) is 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The canonical SMILES for 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine is CC(C)S(=O)(=O)CC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The InChIKey is TYQXPNUTMOFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(10,11)6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine?
1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine has a molecular weight of 191.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-ylsulfonylmethyl)azetidine is sourced from PubChem (CID 177300168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).