N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C25H35N3O3S — CID 26560022

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCCC1
InChIInChI=1S/C25H35N3O3S/c1-27(2)25(14-6-3-7-15-25)19-26-24(29)21-12-16-28(17-13-21)32(30,31)23-11-10-20-8-4-5-9-22(20)18-23/h4-5,8-11,18,21H,3,6-7,12-17,19H2,1-2H3,(H,26,29)
InChIKeyDMIMWEKXKZYSSZ-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.62
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26560022) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26560022
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCCC1
InChIInChI=1S/C25H35N3O3S/c1-27(2)25(14-6-3-7-15-25)19-26-24(29)21-12-16-28(17-13-21)32(30,31)23-11-10-20-8-4-5-9-22(20)18-23/h4-5,8-11,18,21H,3,6-7,12-17,19H2,1-2H3,(H,26,29)
InChIKeyDMIMWEKXKZYSSZ-UHFFFAOYSA-N
XLogP3.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47017929
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26560022) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DMIMWEKXKZYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-27(2)25(14-6-3-7-15-25)19-26-24(29)21-12-16-28(17-13-21)32(30,31)23-11-10-20-8-4-5-9-22(20)18-23/h4-5,8-11,18,21H,3,6-7,12-17,19H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26560022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).