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

C12H25NO3S — CID 43679665

IUPACN-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCOC(C)(C)CC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(8-11(2,3)16-5)13-12(4)6-7-17(14,15)9-12/h10,13H,6-9H2,1-5H3
InChIKeyWPAWNYBOPVFSQZ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds5

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

N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679665) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679665
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCOC(C)(C)CC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(8-11(2,3)16-5)13-12(4)6-7-17(14,15)9-12/h10,13H,6-9H2,1-5H3
InChIKeyWPAWNYBOPVFSQZ-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
CID 43146974
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-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
CID 43679724
3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
CID 43679867
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-(3-methoxypropyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 61856985
N-(4-methoxybutan-2-yl)-1,1-dioxothiolan-3-amine
CID 61864980
N-(4-methoxybutan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 61865024

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine (CID 43679665) is N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine is COC(C)(C)CC(C)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is WPAWNYBOPVFSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(8-11(2,3)16-5)13-12(4)6-7-17(14,15)9-12/h10,13H,6-9H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 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)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).