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

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

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Related Compounds

1-Hexanol, 6-((2-chlorobenzo(b)thien-3-yl)amino)-, S,S-dioxide
CID 3046528
4-[1-(4-Methylsulfonylphenyl)ethylamino]cyclohexan-1-ol
CID 43193965
(2R)-1-[(3S,5S)-3-ethyl-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6,4-benzothiazepin-3-yl]butan-2-ol
CID 22882945
4-(3,5-difluorophenyl)-1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 59599312
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
CID 43382134
4-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 43440267
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 43751251
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 43761716
6-fluoro-1,1-dioxo-N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 61039385
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 62360131
4-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64911146
2-[[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
CID 65833604

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).