4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol

C14H19NO3S — CID 43522834

IUPAC4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CC(NC2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C14H19NO3S/c16-11-7-5-10(6-8-11)15-13-9-19(17,18)14-4-2-1-3-12(13)14/h1-4,10-11,13,15-16H,5-9H2
InChIKeyNPAUJMXGBHDUKJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.41
Rot. Bonds2

About 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol

4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol (PubChem CID 43522834) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol
PubChem CID43522834
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CC(NC2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C14H19NO3S/c16-11-7-5-10(6-8-11)15-13-9-19(17,18)14-4-2-1-3-12(13)14/h1-4,10-11,13,15-16H,5-9H2
InChIKeyNPAUJMXGBHDUKJ-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol (CID 43522834) is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol is O=S1(=O)CC(NC2CCC(O)CC2)c2ccccc21.
What is the InChIKey of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol?
The InChIKey is NPAUJMXGBHDUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-11-7-5-10(6-8-11)15-13-9-19(17,18)14-4-2-1-3-12(13)14/h1-4,10-11,13,15-16H,5-9H2.
What are the key properties of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol?
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol has a molecular weight of 281.38 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43522834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).