N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H30N2O3S — CID 48861702

IUPACN-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-13-4-6-14(7-5-13)12-17-16(19)15-8-10-18(11-9-15)22(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyJEVMSSUPLYEEEB-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.99
Rot. Bonds5

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

N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 48861702) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID48861702
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-13-4-6-14(7-5-13)12-17-16(19)15-8-10-18(11-9-15)22(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyJEVMSSUPLYEEEB-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
1-(4-ethylcyclohexyl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394227
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 48861702) is N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CCC1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JEVMSSUPLYEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-3-13-4-6-14(7-5-13)12-17-16(19)15-8-10-18(11-9-15)22(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 48861702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).