O-methyl 2-(methylamino)pentanethioate

C7H15NOS — CID 166719914

IUPACO-methyl 2-(methylamino)pentanethioate
SMILESCCCC(NC)C(=S)OC
InChIInChI=1S/C7H15NOS/c1-4-5-6(8-2)7(10)9-3/h6,8H,4-5H2,1-3H3
InChIKeyXXNYPRNCRRNKJM-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.35
Rot. Bonds4

About O-methyl 2-(methylamino)pentanethioate

O-methyl 2-(methylamino)pentanethioate (PubChem CID 166719914) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is O-methyl 2-(methylamino)pentanethioate.

Molecular Properties

Compound NameO-methyl 2-(methylamino)pentanethioate
PubChem CID166719914
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameO-methyl 2-(methylamino)pentanethioate
SMILESCCCC(NC)C(=S)OC
InChIInChI=1S/C7H15NOS/c1-4-5-6(8-2)7(10)9-3/h6,8H,4-5H2,1-3H3
InChIKeyXXNYPRNCRRNKJM-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate
CID 141249453
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731

Frequently Asked Questions

What is the IUPAC name of O-methyl 2-(methylamino)pentanethioate?
The IUPAC name of O-methyl 2-(methylamino)pentanethioate (CID 166719914) is O-methyl 2-(methylamino)pentanethioate.
What is the SMILES notation for O-methyl 2-(methylamino)pentanethioate?
The canonical SMILES for O-methyl 2-(methylamino)pentanethioate is CCCC(NC)C(=S)OC.
What is the InChIKey of O-methyl 2-(methylamino)pentanethioate?
The InChIKey is XXNYPRNCRRNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-5-6(8-2)7(10)9-3/h6,8H,4-5H2,1-3H3.
What are the key properties of O-methyl 2-(methylamino)pentanethioate?
O-methyl 2-(methylamino)pentanethioate has a molecular weight of 161.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-(methylamino)pentanethioate is sourced from PubChem (CID 166719914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).