3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine

C8H17NO3S — CID 81197813

IUPAC3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine
SMILESCOCC(C)S(=O)(=O)CC1CNC1
InChIInChI=1S/C8H17NO3S/c1-7(5-12-2)13(10,11)6-8-3-9-4-8/h7-9H,3-6H2,1-2H3
InChIKeyIWWHPZRSXFMWJU-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.34
Rot. Bonds5

About 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine

3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine (PubChem CID 81197813) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine
PubChem CID81197813
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine
SMILESCOCC(C)S(=O)(=O)CC1CNC1
InChIInChI=1S/C8H17NO3S/c1-7(5-12-2)13(10,11)6-8-3-9-4-8/h7-9H,3-6H2,1-2H3
InChIKeyIWWHPZRSXFMWJU-UHFFFAOYSA-N
XLogP-0.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfonyl)propanenitrile
CID 81196503
2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide
CID 81196178
2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide
CID 81198095
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
3-(2-propoxyethylsulfonylmethyl)azetidine
CID 106460079
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
CID 115024927
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
3-(2,2-difluoroethylsulfonylmethyl)azetidine
CID 81196505
4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide
CID 114487035
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
3-(cyclopropylmethylsulfonyl)butan-1-amine
CID 81195570
2-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 116678033

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine?
The IUPAC name of 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine (CID 81197813) is 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine is COCC(C)S(=O)(=O)CC1CNC1.
What is the InChIKey of 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine?
The InChIKey is IWWHPZRSXFMWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(5-12-2)13(10,11)6-8-3-9-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine?
3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine has a molecular weight of 207.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).