N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide

C22H46N2O2S — CID 118241915

IUPACN-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN1CC(C)(C)CC(CCC)C1C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C22H46N2O2S/c1-10-12-19(14-22(6,7)23(8)27(9,25)26)16-24-17-21(4,5)15-20(13-11-2)18(24)3/h18-20H,10-17H2,1-9H3
InChIKeyCPHVICHKBOHJMU-UHFFFAOYSA-N
MW402.69 g/mol
LogP5.00
Rot. Bonds10

About N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241915) has the molecular formula C22H46N2O2S and a molecular weight of 402.69 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241915
Molecular FormulaC22H46N2O2S
Molecular Weight402.69 g/mol
Exact Mass402.33
IUPAC NameN-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN1CC(C)(C)CC(CCC)C1C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C22H46N2O2S/c1-10-12-19(14-22(6,7)23(8)27(9,25)26)16-24-17-21(4,5)15-20(13-11-2)18(24)3/h18-20H,10-17H2,1-9H3
InChIKeyCPHVICHKBOHJMU-UHFFFAOYSA-N
XLogP5.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.69
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide (CID 118241915) is N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide is CCCC(CN1CC(C)(C)CC(CCC)C1C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is CPHVICHKBOHJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2S/c1-10-12-19(14-22(6,7)23(8)27(9,25)26)16-24-17-21(4,5)15-20(13-11-2)18(24)3/h18-20H,10-17H2,1-9H3.
What are the key properties of N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 402.69 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[(2,5,5-trimethyl-3-propylpiperidin-1-yl)methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).