N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

C18H31N4O3S+ — CID 9113092

IUPACN-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C18H30N4O3S/c1-5-21(14-17(23)20-18(2,3)4)16-10-9-15(13-19-16)26(24,25)22-11-7-6-8-12-22/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,20,23)/p+1
InChIKeyOLXQDVWGLYXZDS-UHFFFAOYSA-O
MW383.54 g/mol
LogP1.42
Rot. Bonds6

About N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (PubChem CID 9113092) has the molecular formula C18H31N4O3S+ and a molecular weight of 383.54 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
PubChem CID9113092
Molecular FormulaC18H31N4O3S+
Molecular Weight383.54 g/mol
Exact Mass383.21
IUPAC NameN-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C18H30N4O3S/c1-5-21(14-17(23)20-18(2,3)4)16-10-9-15(13-19-16)26(24,25)22-11-7-6-8-12-22/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,20,23)/p+1
InChIKeyOLXQDVWGLYXZDS-UHFFFAOYSA-O
XLogP1.42
TPSA83.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide
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[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
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4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-(2,3-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9195592
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide
CID 55411385
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9113349
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9194973
N-tert-butyl-2-[[N'-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111385780

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (CID 9113092) is N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is CCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1.
What is the InChIKey of N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The InChIKey is OLXQDVWGLYXZDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N4O3S/c1-5-21(14-17(23)20-18(2,3)4)16-10-9-15(13-19-16)26(24,25)22-11-7-6-8-12-22/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,20,23)/p+1.
What are the key properties of N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide has a molecular weight of 383.54 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is sourced from PubChem (CID 9113092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).