N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide

C18H28N2O4S — CID 120890633

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOCC1(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)CCNCC1
InChIInChI=1S/C18H28N2O4S/c1-15-3-5-16(6-4-15)25(22,23)12-7-17(21)20-13-18(14-24-2)8-10-19-11-9-18/h3-6,19H,7-14H2,1-2H3,(H,20,21)
InChIKeyUBSHQMUTNLWLCJ-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.29
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 120890633) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID120890633
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOCC1(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)CCNCC1
InChIInChI=1S/C18H28N2O4S/c1-15-3-5-16(6-4-15)25(22,23)12-7-17(21)20-13-18(14-24-2)8-10-19-11-9-18/h3-6,19H,7-14H2,1-2H3,(H,20,21)
InChIKeyUBSHQMUTNLWLCJ-UHFFFAOYSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 120890633) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide is COCC1(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is UBSHQMUTNLWLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-15-3-5-16(6-4-15)25(22,23)12-7-17(21)20-13-18(14-24-2)8-10-19-11-9-18/h3-6,19H,7-14H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 368.50 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 120890633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).