ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate

C13H25N3O5S — CID 113056403

IUPACethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNS(C)(=O)=O)C(C)=O)CC1
InChIInChI=1S/C13H25N3O5S/c1-4-21-13(18)15-8-5-12(6-9-15)16(11(2)17)10-7-14-22(3,19)20/h12,14H,4-10H2,1-3H3
InChIKeyHUAJWYNYJXHKEC-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.00
Rot. Bonds6

About ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate (PubChem CID 113056403) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
PubChem CID113056403
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNS(C)(=O)=O)C(C)=O)CC1
InChIInChI=1S/C13H25N3O5S/c1-4-21-13(18)15-8-5-12(6-9-15)16(11(2)17)10-7-14-22(3,19)20/h12,14H,4-10H2,1-3H3
InChIKeyHUAJWYNYJXHKEC-UHFFFAOYSA-N
XLogP0.00
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate (CID 113056403) is ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCNS(C)(=O)=O)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is HUAJWYNYJXHKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S/c1-4-21-13(18)15-8-5-12(6-9-15)16(11(2)17)10-7-14-22(3,19)20/h12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).