3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol

C11H23NO3S — CID 106184974

IUPAC3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2,11(3,4)13)12-9-5-7-16(14,15)8-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyLNDIPOYBKVZAAP-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.70
Rot. Bonds3

About 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol

3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106184974) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106184974
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2,11(3,4)13)12-9-5-7-16(14,15)8-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyLNDIPOYBKVZAAP-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
CID 43511422
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170
N-(2-methylbut-3-yn-2-yl)-1,1-dioxothian-4-amine
CID 63997125
2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
CID 65264497
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
CID 103829133
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
CID 103993526
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106184974) is 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is LNDIPOYBKVZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,11(3,4)13)12-9-5-7-16(14,15)8-6-9/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106184974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).