2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide

C12H25N3O4S — CID 47090039

IUPAC2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O4S/c1-10-6-11(2)8-15(7-10)20(17,18)14(4-5-19-3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16)
InChIKeyLFTBPEQKBJMAKF-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.36
Rot. Bonds7

About 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide

2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide (PubChem CID 47090039) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
PubChem CID47090039
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O4S/c1-10-6-11(2)8-15(7-10)20(17,18)14(4-5-19-3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16)
InChIKeyLFTBPEQKBJMAKF-UHFFFAOYSA-N
XLogP-0.36
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122105789
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetic acid
CID 79263343
N-(2-methoxyethoxy)-3,5-dimethylpiperidine-1-sulfonamide
CID 82715167
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 102675737
2-[tert-butyl-(3,5-dimethylpiperidin-1-yl)sulfonylamino]acetic acid
CID 79268450

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide (CID 47090039) is 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is LFTBPEQKBJMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10-6-11(2)8-15(7-10)20(17,18)14(4-5-19-3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide?
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 307.42 g/mol, XLogP of -0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 47090039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).