N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine

C16H25NO2SSi — CID 160573048

IUPACN,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine
SMILESCCC[SiH2]CCCN(C)c1ccc2c(c1)C(C)=CS2(=O)=O
InChIInChI=1S/C16H25NO2SSi/c1-4-9-21-10-5-8-17(3)14-6-7-16-15(11-14)13(2)12-20(16,18)19/h6-7,11-12H,4-5,8-10,21H2,1-3H3
InChIKeyLGCIKCFEHHPBOG-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.08
Rot. Bonds7

About N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine

N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine (PubChem CID 160573048) has the molecular formula C16H25NO2SSi and a molecular weight of 323.53 g/mol. Its IUPAC name is N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine
PubChem CID160573048
Molecular FormulaC16H25NO2SSi
Molecular Weight323.53 g/mol
Exact Mass323.14
IUPAC NameN,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine
SMILESCCC[SiH2]CCCN(C)c1ccc2c(c1)C(C)=CS2(=O)=O
InChIInChI=1S/C16H25NO2SSi/c1-4-9-21-10-5-8-17(3)14-6-7-16-15(11-14)13(2)12-20(16,18)19/h6-7,11-12H,4-5,8-10,21H2,1-3H3
InChIKeyLGCIKCFEHHPBOG-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine?
The IUPAC name of N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine (CID 160573048) is N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine?
The canonical SMILES for N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine is CCC[SiH2]CCCN(C)c1ccc2c(c1)C(C)=CS2(=O)=O.
What is the InChIKey of N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine?
The InChIKey is LGCIKCFEHHPBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2SSi/c1-4-9-21-10-5-8-17(3)14-6-7-16-15(11-14)13(2)12-20(16,18)19/h6-7,11-12H,4-5,8-10,21H2,1-3H3.
What are the key properties of N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine?
N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine has a molecular weight of 323.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 160573048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).