N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H31N3O3S — CID 47017929

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CCCCC1
InChIInChI=1S/C16H31N3O3S/c1-18(2)16(9-5-4-6-10-16)13-17-15(20)14-7-11-19(12-8-14)23(3,21)22/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyJAAULQNNHSGPLP-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.04
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47017929) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47017929
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CCCCC1
InChIInChI=1S/C16H31N3O3S/c1-18(2)16(9-5-4-6-10-16)13-17-15(20)14-7-11-19(12-8-14)23(3,21)22/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyJAAULQNNHSGPLP-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26560022
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46411434
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 52720503
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
CID 105420547
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 47017929) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is CN(C)C1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JAAULQNNHSGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-18(2)16(9-5-4-6-10-16)13-17-15(20)14-7-11-19(12-8-14)23(3,21)22/h14H,4-13H2,1-3H3,(H,17,20).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.04, 5 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-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47017929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).