1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine

C16H23NO2S — CID 65420749

IUPAC1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C16H23NO2S/c1-15(2)7-9-16(17,10-8-15)13-11-20(18,19)14-6-4-3-5-12(13)14/h3-6,13H,7-11,17H2,1-2H3
InChIKeyYNOQTSBSCXBAHT-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.86
Rot. Bonds1

About 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 65420749) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine
PubChem CID65420749
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C16H23NO2S/c1-15(2)7-9-16(17,10-8-15)13-11-20(18,19)14-6-4-3-5-12(13)14/h3-6,13H,7-11,17H2,1-2H3
InChIKeyYNOQTSBSCXBAHT-UHFFFAOYSA-N
XLogP2.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine
CID 65420282
3-(3-methylazetidin-3-yl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 79451210
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2,3-dihydroinden-1-amine
CID 65403749
1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine
CID 55107032
N-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopropyl]methyl]propan-1-amine
CID 66024668
N-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]methyl]propan-2-amine
CID 62724602
N-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194271
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
CID 94848528
(3S,4R,5R)-3,4,5-trimethyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 59108983
(5S)-3,3,5-trimethyl-4,5-dihydro-2H-1λ6-benzothiepine 1,1-dioxide
CID 59097098
N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 63822577
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxylic acid
CID 83080752

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine (CID 65420749) is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is YNOQTSBSCXBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-15(2)7-9-16(17,10-8-15)13-11-20(18,19)14-6-4-3-5-12(13)14/h3-6,13H,7-11,17H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine?
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65420749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).