1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol

C13H19NO3S — CID 55149563

IUPAC1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol
SMILESCC(Cc1ccccc1)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C13H19NO3S/c1-10(7-11-5-3-2-4-6-11)14-12-8-18(16,17)9-13(12)15/h2-6,10,12-15H,7-9H2,1H3
InChIKeyZJHUBHPJZXFSFR-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.37
Rot. Bonds4

About 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol

1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol (PubChem CID 55149563) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol
PubChem CID55149563
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol
SMILESCC(Cc1ccccc1)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C13H19NO3S/c1-10(7-11-5-3-2-4-6-11)14-12-8-18(16,17)9-13(12)15/h2-6,10,12-15H,7-9H2,1H3
InChIKeyZJHUBHPJZXFSFR-UHFFFAOYSA-N
XLogP0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-phenylpropan-2-ylamino)oxolan-3-ol
CID 63011937
diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate
CID 7680623
4-[3-[benzyl(methyl)amino]propylamino]-1,1-dioxothiolan-3-ol
CID 60885293
2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
CID 2772249
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
CID 3831220
1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
CID 81403977
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol (CID 55149563) is 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol is CC(Cc1ccccc1)NC1CS(=O)(=O)CC1O.
What is the InChIKey of 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol?
The InChIKey is ZJHUBHPJZXFSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(7-11-5-3-2-4-6-11)14-12-8-18(16,17)9-13(12)15/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol?
1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol has a molecular weight of 269.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol is sourced from PubChem (CID 55149563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).