methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate

C12H24N2O4S — CID 54942106

IUPACmethyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-4-7-13(10-12(15)18-3)19(16,17)14-8-5-6-11(2)9-14/h11H,4-10H2,1-3H3
InChIKeyQCVDBXWUYVTNDB-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.85
Rot. Bonds6

About methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate

methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate (PubChem CID 54942106) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
PubChem CID54942106
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-4-7-13(10-12(15)18-3)19(16,17)14-8-5-6-11(2)9-14/h11H,4-10H2,1-3H3
InChIKeyQCVDBXWUYVTNDB-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63066424
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate (CID 54942106) is methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
The InChIKey is QCVDBXWUYVTNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-7-13(10-12(15)18-3)19(16,17)14-8-5-6-11(2)9-14/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate?
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 54942106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).