1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine

C15H23NO3S — CID 61057802

IUPAC1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OC1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO3S/c1-10-6-13(8-12(3)16)7-11(2)15(10)19-14-4-5-20(17,18)9-14/h6-7,12,14H,4-5,8-9,16H2,1-3H3
InChIKeyCIPIBRFSTSLRDT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.76
Rot. Bonds4

About 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine

1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine (PubChem CID 61057802) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine
PubChem CID61057802
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OC1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO3S/c1-10-6-13(8-12(3)16)7-11(2)15(10)19-14-4-5-20(17,18)9-14/h6-7,12,14H,4-5,8-9,16H2,1-3H3
InChIKeyCIPIBRFSTSLRDT-UHFFFAOYSA-N
XLogP1.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-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

1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]butan-2-amine
CID 61057921
3-[4-(chloromethyl)-2,6-dimethylphenoxy]thiolane 1,1-dioxide
CID 54914785
3-[4-(bromomethyl)-2,6-dimethylphenoxy]thiolane 1,1-dioxide
CID 54914835
1-[3-chloro-4-(1,1-dioxothiolan-3-yl)oxy-5-methoxyphenyl]propan-2-amine
CID 61057801
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
1-[5-bromo-2-(1,1-dioxothiolan-3-yl)oxy-3-methylphenyl]butan-2-amine
CID 115962977
1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine
CID 79800002
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanamine
CID 55246862
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117391642
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-methylphenyl]-N-methylmethanamine
CID 112608470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine (CID 61057802) is 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine is Cc1cc(CC(C)N)cc(C)c1OC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine?
The InChIKey is CIPIBRFSTSLRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-6-13(8-12(3)16)7-11(2)15(10)19-14-4-5-20(17,18)9-14/h6-7,12,14H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine?
1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine is sourced from PubChem (CID 61057802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).