methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate

C13H26N2O4S — CID 79858651

IUPACmethyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-15(9-10-20(3,17)18)8-6-11-5-4-7-13(11,14)12(16)19-2/h11H,4-10,14H2,1-3H3
InChIKeyYZBPPKWETSPHTQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.02
Rot. Bonds7

About methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 79858651) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID79858651
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Namemethyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-15(9-10-20(3,17)18)8-6-11-5-4-7-13(11,14)12(16)19-2/h11H,4-10,14H2,1-3H3
InChIKeyYZBPPKWETSPHTQ-UHFFFAOYSA-N
XLogP0.02
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79572326
[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol
CID 79844792
methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565663
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79850591
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
1-amino-2-[2-[3-(dimethylamino)propyl-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79564237
methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79563943
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
CID 106448827

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate (CID 79858651) is methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCN(C)CCS(C)(=O)=O.
What is the InChIKey of methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is YZBPPKWETSPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-15(9-10-20(3,17)18)8-6-11-5-4-7-13(11,14)12(16)19-2/h11H,4-10,14H2,1-3H3.
What are the key properties of methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).