1-(3-methylbutylsulfonyl)azetidin-3-ol

C8H17NO3S — CID 63857866

IUPAC1-(3-methylbutylsulfonyl)azetidin-3-ol
SMILESCC(C)CCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)3-4-13(11,12)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyASGFWMWPUUJPDJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)azetidin-3-ol

1-(3-methylbutylsulfonyl)azetidin-3-ol (PubChem CID 63857866) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)azetidin-3-ol
PubChem CID63857866
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(3-methylbutylsulfonyl)azetidin-3-ol
SMILESCC(C)CCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)3-4-13(11,12)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyASGFWMWPUUJPDJ-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
3-[1-(3-methylbutylsulfonyl)piperidin-4-yl]propanoic acid
CID 63855675
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119972217
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
1-(2-bromoethyl)-4-(3-methylbutylsulfonyl)piperazine
CID 80677198
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)azetidin-3-ol?
The IUPAC name of 1-(3-methylbutylsulfonyl)azetidin-3-ol (CID 63857866) is 1-(3-methylbutylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)azetidin-3-ol?
The canonical SMILES for 1-(3-methylbutylsulfonyl)azetidin-3-ol is CC(C)CCS(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)azetidin-3-ol?
The InChIKey is ASGFWMWPUUJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)3-4-13(11,12)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)azetidin-3-ol?
1-(3-methylbutylsulfonyl)azetidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 63857866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).