ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate

C13H26N2O4S — CID 79858913

IUPACethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-5-19-12(16)13(14-2)7-6-11(10-13)15(3)8-9-20(4,17)18/h11,14H,5-10H2,1-4H3
InChIKeySGCGSNJJISASLW-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.04
Rot. Bonds7

About ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate (PubChem CID 79858913) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
PubChem CID79858913
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nameethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-5-19-12(16)13(14-2)7-6-11(10-13)15(3)8-9-20(4,17)18/h11,14H,5-10H2,1-4H3
InChIKeySGCGSNJJISASLW-UHFFFAOYSA-N
XLogP0.04
TPSA75.71 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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 81062759
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[cyclopropylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641847
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate (CID 79858913) is ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(N(C)CCS(C)(=O)=O)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate?
The InChIKey is SGCGSNJJISASLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-5-19-12(16)13(14-2)7-6-11(10-13)15(3)8-9-20(4,17)18/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79858913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).