(2S)-1-(benzenesulfonyl)-2-methylazetidine

C10H13NO2S — CID 174287686

IUPAC(2S)-1-(benzenesulfonyl)-2-methylazetidine
SMILESC[C@H]1CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-9-7-8-11(9)14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeySDYZMADUVZSVCG-VIFPVBQESA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds2

About (2S)-1-(benzenesulfonyl)-2-methylazetidine

(2S)-1-(benzenesulfonyl)-2-methylazetidine (PubChem CID 174287686) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-2-methylazetidine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-2-methylazetidine
PubChem CID174287686
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2S)-1-(benzenesulfonyl)-2-methylazetidine
SMILESC[C@H]1CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-9-7-8-11(9)14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeySDYZMADUVZSVCG-VIFPVBQESA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
1-(benzenesulfonyl)-2,5,5-trimethylpiperidine
CID 24799740
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-2-methylazetidine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-2-methylazetidine (CID 174287686) is (2S)-1-(benzenesulfonyl)-2-methylazetidine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-2-methylazetidine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-2-methylazetidine is C[C@H]1CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-2-methylazetidine?
The InChIKey is SDYZMADUVZSVCG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c1-9-7-8-11(9)14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-2-methylazetidine?
(2S)-1-(benzenesulfonyl)-2-methylazetidine has a molecular weight of 211.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-2-methylazetidine is sourced from PubChem (CID 174287686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).