ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate

C13H26N2O4S — CID 61006916

IUPACethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-8-15(11-13(16)19-5-2)20(17,18)14-9-6-12(3)7-10-14/h12H,4-11H2,1-3H3
InChIKeyGXNYLZZHKRWYAE-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.24
Rot. Bonds7

About ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate

ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate (PubChem CID 61006916) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
PubChem CID61006916
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nameethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-8-15(11-13(16)19-5-2)20(17,18)14-9-6-12(3)7-10-14/h12H,4-11H2,1-3H3
InChIKeyGXNYLZZHKRWYAE-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
4-amino-N,N-dipropylpiperidine-1-sulfonamide
CID 43556362
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
CID 60951723
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
CID 62027795
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate (CID 61006916) is ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The InChIKey is GXNYLZZHKRWYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-8-15(11-13(16)19-5-2)20(17,18)14-9-6-12(3)7-10-14/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate has a molecular weight of 306.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 61006916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).