ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

C16H29NO3S — CID 107755206

IUPACethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCSC1CCOC1C
InChIInChI=1S/C16H29NO3S/c1-4-19-15(18)16(17-3)9-5-6-13(16)8-11-21-14-7-10-20-12(14)2/h12-14,17H,4-11H2,1-3H3
InChIKeyQRGJLYZEPLOMIO-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.61
Rot. Bonds7

About ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (PubChem CID 107755206) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
PubChem CID107755206
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Nameethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCSC1CCOC1C
InChIInChI=1S/C16H29NO3S/c1-4-19-15(18)16(17-3)9-5-6-13(16)8-11-21-14-7-10-20-12(14)2/h12-14,17H,4-11H2,1-3H3
InChIKeyQRGJLYZEPLOMIO-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (CID 107755206) is ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCSC1CCOC1C.
What is the InChIKey of ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The InChIKey is QRGJLYZEPLOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-4-19-15(18)16(17-3)9-5-6-13(16)8-11-21-14-7-10-20-12(14)2/h12-14,17H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate has a molecular weight of 315.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 107755206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).