4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide

C15H20N2O3S — CID 93466698

IUPAC4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(N[C@H]2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H20N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-4,10-11,13,17H,5-9H2,(H2,16,18)/t10?,11?,13-/m0/s1
InChIKeyKZEJGLBDTCYUDE-XIVSLSHWSA-N
MW308.40 g/mol
LogP1.15
Rot. Bonds3

About 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide

4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide (PubChem CID 93466698) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide
PubChem CID93466698
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(N[C@H]2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H20N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-4,10-11,13,17H,5-9H2,(H2,16,18)/t10?,11?,13-/m0/s1
InChIKeyKZEJGLBDTCYUDE-XIVSLSHWSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol
CID 43522834
N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522825
N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522978
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
CID 43522991
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)oxolan-3-amine
CID 80713583
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
CID 43522924
N-[(3aS,6aR)-5-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 128884981
N-(1,1-dioxothiolan-3-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43757070
N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65467625
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43522859
N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43539229

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide (CID 93466698) is 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(N[C@H]2CS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is KZEJGLBDTCYUDE-XIVSLSHWSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-4,10-11,13,17H,5-9H2,(H2,16,18)/t10?,11?,13-/m0/s1.
What are the key properties of 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide?
4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 93466698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).