N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C14H19NO2S — CID 54915639

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=S1(=O)CCC(CNC2CCc3ccccc32)C1
InChIInChI=1S/C14H19NO2S/c16-18(17)8-7-11(10-18)9-15-14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14-15H,5-10H2
InChIKeyHXTLLZIVTQFFMZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.70
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 54915639) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID54915639
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=S1(=O)CCC(CNC2CCc3ccccc32)C1
InChIInChI=1S/C14H19NO2S/c16-18(17)8-7-11(10-18)9-15-14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14-15H,5-10H2
InChIKeyHXTLLZIVTQFFMZ-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-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-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708242
N-[(1,1-dioxothiolan-3-yl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 54915460
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54915142
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61011640
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61057213
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81141160
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
CID 60727404
1-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylmethyl)-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine;hydroiodide
CID 119140280
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 54915639) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is O=S1(=O)CCC(CNC2CCc3ccccc32)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HXTLLZIVTQFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17)8-7-11(10-18)9-15-14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14-15H,5-10H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 54915639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).