butyl 2-[3-(methanesulfonamido)propylamino]acetate

C10H22N2O4S — CID 106336288

IUPACbutyl 2-[3-(methanesulfonamido)propylamino]acetate
SMILESCCCCOC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)9-11-6-5-7-12-17(2,14)15/h11-12H,3-9H2,1-2H3
InChIKeyFMFGMRGUCLEHMU-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.14
Rot. Bonds10

About butyl 2-[3-(methanesulfonamido)propylamino]acetate

butyl 2-[3-(methanesulfonamido)propylamino]acetate (PubChem CID 106336288) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is butyl 2-[3-(methanesulfonamido)propylamino]acetate.

Molecular Properties

Compound Namebutyl 2-[3-(methanesulfonamido)propylamino]acetate
PubChem CID106336288
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namebutyl 2-[3-(methanesulfonamido)propylamino]acetate
SMILESCCCCOC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)9-11-6-5-7-12-17(2,14)15/h11-12H,3-9H2,1-2H3
InChIKeyFMFGMRGUCLEHMU-UHFFFAOYSA-N
XLogP-0.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(octylamino)acetate
CID 115567498
propyl 2-(butylamino)acetate
CID 118604269
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
butyl 2-(pent-4-ynylamino)acetate
CID 106221090
octyl 2-[3-(dimethylamino)propylamino]acetate
CID 176847231
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
butyl 2-(2-phenylethylamino)acetate
CID 60679601
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
butyl 2-(methylamino)acetate;methane
CID 157477406
3-butoxy-3-oxopropanoic acid
CID 21201188
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534

Frequently Asked Questions

What is the IUPAC name of butyl 2-[3-(methanesulfonamido)propylamino]acetate?
The IUPAC name of butyl 2-[3-(methanesulfonamido)propylamino]acetate (CID 106336288) is butyl 2-[3-(methanesulfonamido)propylamino]acetate.
What is the SMILES notation for butyl 2-[3-(methanesulfonamido)propylamino]acetate?
The canonical SMILES for butyl 2-[3-(methanesulfonamido)propylamino]acetate is CCCCOC(=O)CNCCCNS(C)(=O)=O.
What is the InChIKey of butyl 2-[3-(methanesulfonamido)propylamino]acetate?
The InChIKey is FMFGMRGUCLEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-4-8-16-10(13)9-11-6-5-7-12-17(2,14)15/h11-12H,3-9H2,1-2H3.
What are the key properties of butyl 2-[3-(methanesulfonamido)propylamino]acetate?
butyl 2-[3-(methanesulfonamido)propylamino]acetate has a molecular weight of 266.36 g/mol, XLogP of -0.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[3-(methanesulfonamido)propylamino]acetate is sourced from PubChem (CID 106336288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).