N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide

C18H28N3O4S+ — CID 7368663

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-15-6-8-21(9-7-15)26(23,24)17-4-2-16(3-5-17)19-18(22)14-20-10-12-25-13-11-20/h2-5,15H,6-14H2,1H3,(H,19,22)/p+1
InChIKeyNLJUAQLATFCLND-UHFFFAOYSA-O
MW382.51 g/mol
LogP-0.04
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7368663) has the molecular formula C18H28N3O4S+ and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID7368663
Molecular FormulaC18H28N3O4S+
Molecular Weight382.51 g/mol
Exact Mass382.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-15-6-8-21(9-7-15)26(23,24)17-4-2-16(3-5-17)19-18(22)14-20-10-12-25-13-11-20/h2-5,15H,6-14H2,1H3,(H,19,22)/p+1
InChIKeyNLJUAQLATFCLND-UHFFFAOYSA-O
XLogP-0.04
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 7925830
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide (CID 7368663) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is NLJUAQLATFCLND-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O4S/c1-15-6-8-21(9-7-15)26(23,24)17-4-2-16(3-5-17)19-18(22)14-20-10-12-25-13-11-20/h2-5,15H,6-14H2,1H3,(H,19,22)/p+1.
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 382.51 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7368663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).