9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate

C21H23NO3S — CID 167737559

IUPAC9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
SMILESCS(=O)CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H23NO3S/c1-21(14-26(2)24)12-22(13-21)20(23)25-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3
InChIKeyLXLQTZGEEKDYQN-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.64
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate

9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate (PubChem CID 167737559) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
PubChem CID167737559
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
SMILESCS(=O)CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H23NO3S/c1-21(14-26(2)24)12-22(13-21)20(23)25-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3
InChIKeyLXLQTZGEEKDYQN-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
CID 167741929
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 89369729
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167722618
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate (CID 167737559) is 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate is CS(=O)CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate?
The InChIKey is LXLQTZGEEKDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-21(14-26(2)24)12-22(13-21)20(23)25-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate is sourced from PubChem (CID 167737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).