5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine

C16H25NO2S — CID 83050321

IUPAC5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(C)cc(C)c2S(=O)(=O)C1CCC
InChIInChI=1S/C16H25NO2S/c1-5-7-14-15(17-8-6-2)13-10-11(3)9-12(4)16(13)20(14,18)19/h9-10,14-15,17H,5-8H2,1-4H3
InChIKeyLJQHLDMBHHCDQJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.30
Rot. Bonds5

About 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine

5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83050321) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83050321
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(C)cc(C)c2S(=O)(=O)C1CCC
InChIInChI=1S/C16H25NO2S/c1-5-7-14-15(17-8-6-2)13-10-11(3)9-12(4)16(13)20(14,18)19/h9-10,14-15,17H,5-8H2,1-4H3
InChIKeyLJQHLDMBHHCDQJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83050321) is 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1c2cc(C)cc(C)c2S(=O)(=O)C1CCC.
What is the InChIKey of 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is LJQHLDMBHHCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-7-14-15(17-8-6-2)13-10-11(3)9-12(4)16(13)20(14,18)19/h9-10,14-15,17H,5-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 295.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83050321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).