N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide

C13H26N2O2S — CID 55057046

IUPACN-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)C2CCCCC2)N1
InChIInChI=1S/C13H26N2O2S/c1-11-6-5-7-12(15-11)10-14-18(16,17)13-8-3-2-4-9-13/h11-15H,2-10H2,1H3
InChIKeyRKLUPGSHSOJMGW-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.77
Rot. Bonds4

About N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide

N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide (PubChem CID 55057046) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide
PubChem CID55057046
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)C2CCCCC2)N1
InChIInChI=1S/C13H26N2O2S/c1-11-6-5-7-12(15-11)10-14-18(16,17)13-8-3-2-4-9-13/h11-15H,2-10H2,1H3
InChIKeyRKLUPGSHSOJMGW-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide (CID 55057046) is N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide is CC1CCCC(CNS(=O)(=O)C2CCCCC2)N1.
What is the InChIKey of N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide?
The InChIKey is RKLUPGSHSOJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-6-5-7-12(15-11)10-14-18(16,17)13-8-3-2-4-9-13/h11-15H,2-10H2,1H3.
What are the key properties of N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide?
N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpiperidin-2-yl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 55057046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).