N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine

C15H24N2O2S — CID 116814547

IUPACN-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-3-9-16-13(2)14-7-6-8-15(12-14)17-10-4-5-11-20(17,18)19/h6-8,12-13,16H,3-5,9-11H2,1-2H3
InChIKeyAGJJBHHLULDKFF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.68
Rot. Bonds5

About N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine (PubChem CID 116814547) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
PubChem CID116814547
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-3-9-16-13(2)14-7-6-8-15(12-14)17-10-4-5-11-20(17,18)19/h6-8,12-13,16H,3-5,9-11H2,1-2H3
InChIKeyAGJJBHHLULDKFF-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-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

N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
CID 126827114
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine
CID 84589128
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820859
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
CID 146128516
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
N-[1-(3,4-dimethylphenyl)propyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132661357

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine (CID 116814547) is N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is AGJJBHHLULDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-9-16-13(2)14-7-6-8-15(12-14)17-10-4-5-11-20(17,18)19/h6-8,12-13,16H,3-5,9-11H2,1-2H3.
What are the key properties of N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 116814547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).