1-methylsulfonyl-3-propan-2-yloxyazetidine

C7H15NO3S — CID 121261769

IUPAC1-methylsulfonyl-3-propan-2-yloxyazetidine
SMILESCC(C)OC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-6(2)11-7-4-8(5-7)12(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyISDDDOQDPBRHCH-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds3

About 1-methylsulfonyl-3-propan-2-yloxyazetidine

1-methylsulfonyl-3-propan-2-yloxyazetidine (PubChem CID 121261769) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-methylsulfonyl-3-propan-2-yloxyazetidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-propan-2-yloxyazetidine
PubChem CID121261769
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-methylsulfonyl-3-propan-2-yloxyazetidine
SMILESCC(C)OC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-6(2)11-7-4-8(5-7)12(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyISDDDOQDPBRHCH-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylazetidin-3-ol
CID 18343026
N-[2-(1-fluoropropan-2-yloxy)ethyl]-N-methylmethanesulfonamide
CID 89901740
1-(Difluoromethylsulfonyl)-3-methoxyazetidine
CID 130890903
(1-Methylazetidin-3-yl) methanesulfonate
CID 11437367
1-(Methylsulfonyl)azetidin-3-yl methanesulfonate
CID 18343025
N-methyl-N-(2-propoxyethyl)methanesulfonamide
CID 57555860
N-methyl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 80708207
N-(2-ethoxyethyl)-N-methylmethanesulfonamide
CID 81073897
3-(1-Methylsulfonylazetidin-3-yl)oxypropan-1-amine
CID 84053357
3-Methoxy-1-methylsulfonylazetidine
CID 89835820
N-methyl-N-(2-propan-2-yloxypropyl)methanesulfonamide
CID 89901724
N-ethyl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 118241668

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-propan-2-yloxyazetidine?
The IUPAC name of 1-methylsulfonyl-3-propan-2-yloxyazetidine (CID 121261769) is 1-methylsulfonyl-3-propan-2-yloxyazetidine.
What is the SMILES notation for 1-methylsulfonyl-3-propan-2-yloxyazetidine?
The canonical SMILES for 1-methylsulfonyl-3-propan-2-yloxyazetidine is CC(C)OC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-propan-2-yloxyazetidine?
The InChIKey is ISDDDOQDPBRHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(2)11-7-4-8(5-7)12(3,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methylsulfonyl-3-propan-2-yloxyazetidine?
1-methylsulfonyl-3-propan-2-yloxyazetidine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-propan-2-yloxyazetidine is sourced from PubChem (CID 121261769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).