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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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).