2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide

C14H21NO2S2 — CID 101494836

IUPAC2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(CSc2ccccc2)COC1
InChIInChI=1S/C14H21NO2S2/c1-13(2,3)19(16)15-14(9-17-10-14)11-18-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyXJQTYWBHYFRBBX-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide

2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide (PubChem CID 101494836) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide
PubChem CID101494836
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(CSc2ccccc2)COC1
InChIInChI=1S/C14H21NO2S2/c1-13(2,3)19(16)15-14(9-17-10-14)11-18-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyXJQTYWBHYFRBBX-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cambridge id 5760416
CID 786529
Imino-(oxetan-3-yl)-oxo-phenyl-lambda6-sulfane
CID 162396844
N-(3-(difluoro(phenylsulfonyl)methyl)oxetan-3-yl)-2-methylpropane-2-sulfinamide
CID 162624073
N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide
CID 175268016
3-[benzenesulfonyl(difluoro)methyl]-N-tert-butylsulfanyloxetan-3-amine
CID 176298088
2-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 116069738
3,4-difluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]benzenesulfonamide
CID 126833899
N-[2-(2-phenylsulfanylethoxy)ethyl]propane-1-sulfonamide
CID 23218527
N-(3-methyloxetan-3-yl)benzenesulfonamide
CID 175735682
2-Amino-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropan-1-ol
CID 64808004
2-Methyl-1-(2-phenylsulfanylethoxy)propan-2-amine
CID 79222458
3-(2-Phenylsulfanylethoxymethyl)pentan-3-amine
CID 79222768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide (CID 101494836) is 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide is CC(C)(C)S(=O)NC1(CSc2ccccc2)COC1.
What is the InChIKey of 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide?
The InChIKey is XJQTYWBHYFRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-13(2,3)19(16)15-14(9-17-10-14)11-18-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide?
2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide has a molecular weight of 299.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 101494836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).