3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol

C15H23NO3S — CID 62617631

IUPAC3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(C)C1CCS(=O)(=O)C1)C(O)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-12(15(17)13-6-4-3-5-7-13)10-16(2)14-8-9-20(18,19)11-14/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyDXHDTHVHYFDRGT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.48
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol

3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62617631) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
PubChem CID62617631
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(C)C1CCS(=O)(=O)C1)C(O)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-12(15(17)13-6-4-3-5-7-13)10-16(2)14-8-9-20(18,19)11-14/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyDXHDTHVHYFDRGT-UHFFFAOYSA-N
XLogP1.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
(3S)-N-methyl-N-[(2S)-2-methyl-3-phenylpropyl]-1,1-dioxothiolan-3-amine
CID 129429996
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-phenylpropanimidamide
CID 64537074
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-pyridin-4-ylethanol
CID 82216532
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891
1-[4-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanol
CID 43648580
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-phenylethanol
CID 111110027
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017140
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62780382

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol (CID 62617631) is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol is CC(CN(C)C1CCS(=O)(=O)C1)C(O)c1ccccc1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is DXHDTHVHYFDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(15(17)13-6-4-3-5-7-13)10-16(2)14-8-9-20(18,19)11-14/h3-7,12,14-15,17H,8-11H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol?
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62617631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).