1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine

C14H21NO4S — CID 117482437

IUPAC1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1OC1CS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-14(2,15)7-10-4-5-12(13(6-10)18-3)19-11-8-20(16,17)9-11/h4-6,11H,7-9,15H2,1-3H3
InChIKeyQAUOBQVCNJGWEY-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.15
Rot. Bonds5

About 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine

1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine (PubChem CID 117482437) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
PubChem CID117482437
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1OC1CS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-14(2,15)7-10-4-5-12(13(6-10)18-3)19-11-8-20(16,17)9-11/h4-6,11H,7-9,15H2,1-3H3
InChIKeyQAUOBQVCNJGWEY-UHFFFAOYSA-N
XLogP1.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]propan-1-amine
CID 117459739
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
3-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]butan-1-amine
CID 117482439
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
CID 117496257
N-[[4-(1,1-dioxothiolan-3-yl)oxy-3-methoxyphenyl]methyl]cyclopropanamine
CID 61057658
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322
2-[3-chloro-4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117468044
2-amino-1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]ethanol
CID 117463616
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-(4-methoxy-3-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117324234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine (CID 117482437) is 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)ccc1OC1CS(=O)(=O)C1.
What is the InChIKey of 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine?
The InChIKey is QAUOBQVCNJGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-14(2,15)7-10-4-5-12(13(6-10)18-3)19-11-8-20(16,17)9-11/h4-6,11H,7-9,15H2,1-3H3.
What are the key properties of 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine?
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine has a molecular weight of 299.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117482437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).