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

C15H21NO2S — CID 65420282

IUPAC1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H21NO2S/c1-11-6-8-15(16,9-7-11)13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13H,6-10,16H2,1H3
InChIKeySAOADOPUHRSIKC-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds1

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

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine (PubChem CID 65420282) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine
PubChem CID65420282
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H21NO2S/c1-11-6-8-15(16,9-7-11)13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13H,6-10,16H2,1H3
InChIKeySAOADOPUHRSIKC-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylcyclohexan-1-amine
CID 65420749
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2,3-dihydroinden-1-amine
CID 65403749
3-(3-methylazetidin-3-yl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 79451210
(3S,4R,5R)-3,4,5-trimethyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 59108983
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
(4S)-4-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 840171
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
CID 94848528
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxylic acid
CID 83080752
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117199419
1,1-dioxo-2,3-dihydro-1-benzothiophene-3-carbaldehyde
CID 117199416

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine (CID 65420282) is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(C2CS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine?
The InChIKey is SAOADOPUHRSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-6-8-15(16,9-7-11)13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13H,6-10,16H2,1H3.
What are the key properties of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine?
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylcyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.47, 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-methylcyclohexan-1-amine is sourced from PubChem (CID 65420282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).