methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate

C10H21NO3S — CID 64711400

IUPACmethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)SCCO)C(=O)OC
InChIInChI=1S/C10H21NO3S/c1-8(15-6-5-12)7-10(2,11-3)9(13)14-4/h8,11-12H,5-7H2,1-4H3
InChIKeySFMZEABGKUDXRS-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.64
Rot. Bonds7

About methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate

methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64711400) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
PubChem CID64711400
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)SCCO)C(=O)OC
InChIInChI=1S/C10H21NO3S/c1-8(15-6-5-12)7-10(2,11-3)9(13)14-4/h8,11-12H,5-7H2,1-4H3
InChIKeySFMZEABGKUDXRS-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 66138649
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
methyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771758
methyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 64710020
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
methyl 4-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79670909
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
methyl 2-methyl-2-(methylamino)-6-(3-methylbutan-2-ylsulfanyl)hexanoate
CID 107755841
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
methyl 2-methyl-2-(methylamino)-4-(3-methylbutylsulfanyl)butanoate
CID 107756180

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate (CID 64711400) is methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate is CNC(C)(CC(C)SCCO)C(=O)OC.
What is the InChIKey of methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is SFMZEABGKUDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(15-6-5-12)7-10(2,11-3)9(13)14-4/h8,11-12H,5-7H2,1-4H3.
What are the key properties of methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate?
methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 235.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64711400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).