N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide

C19H32N2O4S — CID 126808430

IUPACN-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCCCOc1c(CN2CCC(CNS(C)(=O)=O)CC2)cccc1OCC
InChIInChI=1S/C19H32N2O4S/c1-4-13-25-19-17(7-6-8-18(19)24-5-2)15-21-11-9-16(10-12-21)14-20-26(3,22)23/h6-8,16,20H,4-5,9-15H2,1-3H3
InChIKeyITNDMLNBWFHWLX-UHFFFAOYSA-N
MW384.54 g/mol
LogP2.64
Rot. Bonds10

About N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide

N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 126808430) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide
PubChem CID126808430
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCCCOc1c(CN2CCC(CNS(C)(=O)=O)CC2)cccc1OCC
InChIInChI=1S/C19H32N2O4S/c1-4-13-25-19-17(7-6-8-18(19)24-5-2)15-21-11-9-16(10-12-21)14-20-26(3,22)23/h6-8,16,20H,4-5,9-15H2,1-3H3
InChIKeyITNDMLNBWFHWLX-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide (CID 126808430) is N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide is CCCOc1c(CN2CCC(CNS(C)(=O)=O)CC2)cccc1OCC.
What is the InChIKey of N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is ITNDMLNBWFHWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-4-13-25-19-17(7-6-8-18(19)24-5-2)15-21-11-9-16(10-12-21)14-20-26(3,22)23/h6-8,16,20H,4-5,9-15H2,1-3H3.
What are the key properties of N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126808430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).