4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol

C10H21NO3S — CID 63964217

IUPAC4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
SMILESCCC(C)(C)N(C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H21NO3S/c1-5-10(2,3)11(4)8-6-15(13,14)7-9(8)12/h8-9,12H,5-7H2,1-4H3
InChIKeyPJJIPCYQBRQZJQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.26
Rot. Bonds3

About 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol

4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 63964217) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
PubChem CID63964217
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
SMILESCCC(C)(C)N(C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H21NO3S/c1-5-10(2,3)11(4)8-6-15(13,14)7-9(8)12/h8-9,12H,5-7H2,1-4H3
InChIKeyPJJIPCYQBRQZJQ-UHFFFAOYSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656
4-[2,2-difluoroethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 115773224
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
CID 99976614
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 102566397
4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 60665734
N-ethyl-N-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]formamide
CID 99977195
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
4-[bis(3-methylbutyl)amino]-1,1-dioxothiolan-3-ol
CID 103603363
(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol
CID 126846815
(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 56744172
(3R,4R)-4-[methyl-[(4-methylphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 129365563

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol (CID 63964217) is 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol is CCC(C)(C)N(C)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is PJJIPCYQBRQZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-5-10(2,3)11(4)8-6-15(13,14)7-9(8)12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol?
4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63964217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).