methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate

C14H27NO3S — CID 107755163

IUPACmethyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
SMILESCCNC(C)(CC(C)SC1CCOC1C)C(=O)OC
InChIInChI=1S/C14H27NO3S/c1-6-15-14(4,13(16)17-5)9-10(2)19-12-7-8-18-11(12)3/h10-12,15H,6-9H2,1-5H3
InChIKeyLBLBOLIFIARINO-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate

methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate (PubChem CID 107755163) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
PubChem CID107755163
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
SMILESCCNC(C)(CC(C)SC1CCOC1C)C(=O)OC
InChIInChI=1S/C14H27NO3S/c1-6-15-14(4,13(16)17-5)9-10(2)19-12-7-8-18-11(12)3/h10-12,15H,6-9H2,1-5H3
InChIKeyLBLBOLIFIARINO-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755269
2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 107764599
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
CID 107764612
2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755324
4-(2-methyloxolan-3-yl)sulfanylpentan-2-one
CID 19878871
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
methyl 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylpentanoate
CID 64711437
3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760904
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate (CID 107755163) is methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate is CCNC(C)(CC(C)SC1CCOC1C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate?
The InChIKey is LBLBOLIFIARINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-6-15-14(4,13(16)17-5)9-10(2)19-12-7-8-18-11(12)3/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate?
methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate has a molecular weight of 289.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate is sourced from PubChem (CID 107755163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).