N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide

C14H28N2O2S — CID 20511226

IUPACN-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide
SMILESCN(CCC1CCNCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28N2O2S/c1-16(12-9-13-7-10-15-11-8-13)19(17,18)14-5-3-2-4-6-14/h13-15H,2-12H2,1H3
InChIKeyMYIUFTCMFUKKLO-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide

N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide (PubChem CID 20511226) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide
PubChem CID20511226
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide
SMILESCN(CCC1CCNCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28N2O2S/c1-16(12-9-13-7-10-15-11-8-13)19(17,18)14-5-3-2-4-6-14/h13-15H,2-12H2,1H3
InChIKeyMYIUFTCMFUKKLO-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide?
The IUPAC name of N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide (CID 20511226) is N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide?
The canonical SMILES for N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide is CN(CCC1CCNCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide?
The InChIKey is MYIUFTCMFUKKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-16(12-9-13-7-10-15-11-8-13)19(17,18)14-5-3-2-4-6-14/h13-15H,2-12H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide?
N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-4-ylethyl)cyclohexanesulfonamide is sourced from PubChem (CID 20511226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).