N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine

C15H23NO2S — CID 75497145

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCC1CCCS1(=O)=O
InChIInChI=1S/C15H23NO2S/c1-12-6-3-4-7-14(12)10-13(2)16-11-15-8-5-9-19(15,17)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyTVTFUPWLCJBVOX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.09
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 75497145) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID75497145
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCC1CCCS1(=O)=O
InChIInChI=1S/C15H23NO2S/c1-12-6-3-4-7-14(12)10-13(2)16-11-15-8-5-9-19(15,17)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyTVTFUPWLCJBVOX-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 75497145) is N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is TVTFUPWLCJBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-6-3-4-7-14(12)10-13(2)16-11-15-8-5-9-19(15,17)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3.
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 75497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).