methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate

C12H24N2O4S — CID 54942769

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

About methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate

methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate (PubChem CID 54942769) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
PubChem CID54942769
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-11-6-4-9-14(10-11)19(16,17)13(2)8-5-7-12(15)18-3/h11H,4-10H2,1-3H3
InChIKeyVNZZYTNCHANKNU-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

Analyze methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate 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

methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
CID 51075470
methyl 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]butanoate
CID 94400725
methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
CID 54940579
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
CID 43602810
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate?
The IUPAC name of methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate (CID 54942769) is methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate?
The canonical SMILES for methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate?
The InChIKey is VNZZYTNCHANKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11-6-4-9-14(10-11)19(16,17)13(2)8-5-7-12(15)18-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate?
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate 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 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate is sourced from PubChem (CID 54942769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).