1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine

C14H20N2O2S — CID 79724800

IUPAC1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1(NC2CCc3cc(N)ccc32)CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-14(6-7-19(17,18)9-14)16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7,9,15H2,1H3
InChIKeyUMKZIVIYRXXHOC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.42
Rot. Bonds2

About 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724800) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724800
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1(NC2CCc3cc(N)ccc32)CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-14(6-7-19(17,18)9-14)16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7,9,15H2,1H3
InChIKeyUMKZIVIYRXXHOC-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79724800) is 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine is CC1(NC2CCc3cc(N)ccc32)CCS(=O)(=O)C1.
What is the InChIKey of 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is UMKZIVIYRXXHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(6-7-19(17,18)9-14)16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7,9,15H2,1H3.
What are the key properties of 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 280.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).