3-methyl-1-propan-2-ylsulfonylazetidine

C7H15NO2S — CID 59266025

IUPAC3-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-4-7(3)5-8/h6-7H,4-5H2,1-3H3
InChIKeyPSHORVCFFDPFSI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-1-propan-2-ylsulfonylazetidine

3-methyl-1-propan-2-ylsulfonylazetidine (PubChem CID 59266025) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylsulfonylazetidine
PubChem CID59266025
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-4-7(3)5-8/h6-7H,4-5H2,1-3H3
InChIKeyPSHORVCFFDPFSI-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-propan-2-ylsulfonylazetidine
CID 121339915
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 102547987
(3R,4S)-4-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-amine
CID 72931486
N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
CID 130645144
2-methyl-4-propan-2-ylsulfonylmorpholine
CID 61355181
2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 130634227
4-bromo-3-methyl-1-propan-2-ylsulfonylpiperidine
CID 114683726
2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
CID 114597504
(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
CID 165476115
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-methyl-1-propan-2-ylsulfonylazetidine (CID 59266025) is 3-methyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-methyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-methyl-1-propan-2-ylsulfonylazetidine is CC1CN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is PSHORVCFFDPFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)11(9,10)8-4-7(3)5-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylsulfonylazetidine?
3-methyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 59266025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).