2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol

C15H23NO4S — CID 60910310

IUPAC2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H23NO4S/c1-11-3-4-15(20-2)13(9-11)14(17)10-16-12-5-7-21(18,19)8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3
InChIKeyGBSSUMOJHOXJHW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.20
Rot. Bonds5

About 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol

2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 60910310) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID60910310
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H23NO4S/c1-11-3-4-15(20-2)13(9-11)14(17)10-16-12-5-7-21(18,19)8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3
InChIKeyGBSSUMOJHOXJHW-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
2-(1,1-dioxothiolan-3-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 105094959
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 106256675
1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
CID 80719513
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665
2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 78871610
1-(2,5-difluorophenyl)-2-[(1,1-dioxothian-4-yl)amino]ethanol
CID 60910082
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol (CID 60910310) is 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is GBSSUMOJHOXJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-3-4-15(20-2)13(9-11)14(17)10-16-12-5-7-21(18,19)8-6-12/h3-4,9,12,14,16-17H,5-8,10H2,1-2H3.
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol?
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 313.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 60910310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).