4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine

C23H35N3O3S — CID 70673790

IUPAC4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
SMILESCN(C)S(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C23H35N3O3S/c1-25(2)30(27,28)24-20-9-7-18(8-10-20)11-14-26-15-12-19(13-16-26)22-17-29-23-6-4-3-5-21(22)23/h3-6,17-20,24H,7-16H2,1-2H3
InChIKeyZPVXYYUZSYUVBO-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.96
Rot. Bonds7

About 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine

4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine (PubChem CID 70673790) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
PubChem CID70673790
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
SMILESCN(C)S(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C23H35N3O3S/c1-25(2)30(27,28)24-20-9-7-18(8-10-20)11-14-26-15-12-19(13-16-26)22-17-29-23-6-4-3-5-21(22)23/h3-6,17-20,24H,7-16H2,1-2H3
InChIKeyZPVXYYUZSYUVBO-UHFFFAOYSA-N
XLogP3.96
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-N-(1-benzofuran-5-ylmethyl)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-amine
CID 23647861
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
CID 70674942
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 70675174
3-Mapb
CID 117194718
3-(3-Methyl-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10657635
4-(2-Ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine
CID 12741879
4-(1-Benzofuran-3-yl)-1-(3-piperidin-1-ylpropyl)piperidine;dihydrochloride
CID 45263452
4-(1-Benzofuran-3-yl)-1-propylpiperidine
CID 71452519
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
CID 57379033
trans-N-(4-{2-[4-(7-Fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-acetamide
CID 57385675
Tetrahydro-pyran-4-carboxylic acid trans-(4-{2-[4-(7-fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57385676
trans-N-(4-{2-[4-(7-Fluoro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-2-(tetrahydro-pyran-4-yl)-acetamide
CID 57385677

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine?
The IUPAC name of 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine (CID 70673790) is 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine?
The canonical SMILES for 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine is CN(C)S(=O)(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine?
The InChIKey is ZPVXYYUZSYUVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-25(2)30(27,28)24-20-9-7-18(8-10-20)11-14-26-15-12-19(13-16-26)22-17-29-23-6-4-3-5-21(22)23/h3-6,17-20,24H,7-16H2,1-2H3.
What are the key properties of 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine?
4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine has a molecular weight of 433.62 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine is sourced from PubChem (CID 70673790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).