1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

C11H23NO4S — CID 106249315

IUPAC1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-11(13,5-6-16-2)9-12-10-3-7-17(14,15)8-4-10/h10,12-13H,3-9H2,1-2H3
InChIKeyLGEUEVKGPYAFPO-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.06
Rot. Bonds6

About 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106249315) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106249315
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-11(13,5-6-16-2)9-12-10-3-7-17(14,15)8-4-10/h10,12-13H,3-9H2,1-2H3
InChIKeyLGEUEVKGPYAFPO-UHFFFAOYSA-N
XLogP-0.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

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Related Compounds

3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]azepan-2-one
CID 106255434
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
CID 104561121
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
CID 103784145

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106249315) is 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is LGEUEVKGPYAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-11(13,5-6-16-2)9-12-10-3-7-17(14,15)8-4-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 265.37 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106249315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).