ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate

C15H29NO2S — CID 64704550

IUPACethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)SCC1CCCC1)NC
InChIInChI=1S/C15H29NO2S/c1-5-18-14(17)15(3,16-4)10-12(2)19-11-13-8-6-7-9-13/h12-13,16H,5-11H2,1-4H3
InChIKeyGUVXFYIBZADUAA-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.23
Rot. Bonds8

About ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64704550) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
PubChem CID64704550
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Nameethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)SCC1CCCC1)NC
InChIInChI=1S/C15H29NO2S/c1-5-18-14(17)15(3,16-4)10-12(2)19-11-13-8-6-7-9-13/h12-13,16H,5-11H2,1-4H3
InChIKeyGUVXFYIBZADUAA-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
ethyl 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63119967
ethyl 2-methyl-2-(methylamino)-4-(oxetan-3-ylsulfanyl)pentanoate
CID 79326786
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
ethyl 4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 114791815
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate (CID 64704550) is ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)SCC1CCCC1)NC.
What is the InChIKey of ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is GUVXFYIBZADUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-5-18-14(17)15(3,16-4)10-12(2)19-11-13-8-6-7-9-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 287.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64704550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).