2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C13H19NO2S — CID 64663455

IUPAC2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1C(NC)c2cc(C)cc(C)c2S1(=O)=O
InChIInChI=1S/C13H19NO2S/c1-5-11-12(14-4)10-7-8(2)6-9(3)13(10)17(11,15)16/h6-7,11-12,14H,5H2,1-4H3
InChIKeyPHRNYECVJPWHDA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.13
Rot. Bonds2

About 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 64663455) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID64663455
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1C(NC)c2cc(C)cc(C)c2S1(=O)=O
InChIInChI=1S/C13H19NO2S/c1-5-11-12(14-4)10-7-8(2)6-9(3)13(10)17(11,15)16/h6-7,11-12,14H,5H2,1-4H3
InChIKeyPHRNYECVJPWHDA-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethyl-1,1-dioxo-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83050321
3,5,7-trimethyl-3H-2,1λ6-benzoxathiole 1,1-dioxide
CID 142401402
5-bromo-N-methyl-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83050133
5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one
CID 114993549
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512547
N-ethyl-2,4,6-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79725988
4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 89199697
N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62786079
1-methyl-2-(3-methyl-5-propylphenyl)hydrazine
CID 142380413
N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62730070
3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66230082
5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
CID 71950265

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 64663455) is 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CCC1C(NC)c2cc(C)cc(C)c2S1(=O)=O.
What is the InChIKey of 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is PHRNYECVJPWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-5-11-12(14-4)10-7-8(2)6-9(3)13(10)17(11,15)16/h6-7,11-12,14H,5H2,1-4H3.
What are the key properties of 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 253.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 64663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).