N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide

C19H40N2O2S — CID 118241689

IUPACN-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide
SMILESCCC(CN1CC(C)(C)CC(CC)C1C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C19H40N2O2S/c1-9-16(11-19(6,7)20-24(8,22)23)13-21-14-18(4,5)12-17(10-2)15(21)3/h15-17,20H,9-14H2,1-8H3
InChIKeyOGNMWWUBIRARLX-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.88
Rot. Bonds8

About N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide

N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide (PubChem CID 118241689) has the molecular formula C19H40N2O2S and a molecular weight of 360.61 g/mol. Its IUPAC name is N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide
PubChem CID118241689
Molecular FormulaC19H40N2O2S
Molecular Weight360.61 g/mol
Exact Mass360.28
IUPAC NameN-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide
SMILESCCC(CN1CC(C)(C)CC(CC)C1C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C19H40N2O2S/c1-9-16(11-19(6,7)20-24(8,22)23)13-21-14-18(4,5)12-17(10-2)15(21)3/h15-17,20H,9-14H2,1-8H3
InChIKeyOGNMWWUBIRARLX-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide (CID 118241689) is N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide is CCC(CN1CC(C)(C)CC(CC)C1C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide?
The InChIKey is OGNMWWUBIRARLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2S/c1-9-16(11-19(6,7)20-24(8,22)23)13-21-14-18(4,5)12-17(10-2)15(21)3/h15-17,20H,9-14H2,1-8H3.
What are the key properties of N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide?
N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide has a molecular weight of 360.61 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).