N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine

C11H23NO3S — CID 43146974

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCOC(C)(C)CC(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-9(7-11(2,3)15-4)12-10-5-6-16(13,14)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyGDELPGBWQLAXRP-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine

N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine (PubChem CID 43146974) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
PubChem CID43146974
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCOC(C)(C)CC(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-9(7-11(2,3)15-4)12-10-5-6-16(13,14)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyGDELPGBWQLAXRP-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
CID 86803384
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
CID 43614802
N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679665
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 54915641
2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide
CID 56722886
4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920039
4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine
CID 61020072
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxypropan-1-amine
CID 61058522
N-(4-methoxybutyl)-1,1-dioxothiolan-3-amine
CID 61813324
N-(3-methoxypropyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 61856985
N-(4-methoxybutan-2-yl)-1,1-dioxothiolan-3-amine
CID 61864980

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine (CID 43146974) is N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine is COC(C)(C)CC(C)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is GDELPGBWQLAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(7-11(2,3)15-4)12-10-5-6-16(13,14)8-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43146974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).