methyl 2-(4-aminooxan-3-yl)sulfanylacetate

C8H15NO3S — CID 64613955

IUPACmethyl 2-(4-aminooxan-3-yl)sulfanylacetate
SMILESCOC(=O)CSC1COCCC1N
InChIInChI=1S/C8H15NO3S/c1-11-8(10)5-13-7-4-12-3-2-6(7)9/h6-7H,2-5,9H2,1H3
InChIKeyGOFLMFOAKYYYFQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.01
Rot. Bonds3

About methyl 2-(4-aminooxan-3-yl)sulfanylacetate

methyl 2-(4-aminooxan-3-yl)sulfanylacetate (PubChem CID 64613955) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is methyl 2-(4-aminooxan-3-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-aminooxan-3-yl)sulfanylacetate
PubChem CID64613955
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Namemethyl 2-(4-aminooxan-3-yl)sulfanylacetate
SMILESCOC(=O)CSC1COCCC1N
InChIInChI=1S/C8H15NO3S/c1-11-8(10)5-13-7-4-12-3-2-6(7)9/h6-7H,2-5,9H2,1H3
InChIKeyGOFLMFOAKYYYFQ-UHFFFAOYSA-N
XLogP0.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213
methyl 2-(2-amino-5,5-dimethylcyclohexyl)sulfanylacetate
CID 64613951
methyl (3S,4S)-4-aminooxane-3-carboxylate;hydrochloride
CID 86346362
methyl 4-(2-aminocyclopentyl)sulfanylbutanoate
CID 155858507
ethyl 2-(2-aminocycloheptyl)sulfanylacetate
CID 64614372
methyl 2-[2-(methylamino)cyclododecyl]sulfanylacetate
CID 64613332
methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
CID 91695968
methyl 2-(4-hydroxypyrrolidin-3-yl)sulfanylacetate
CID 63704753
methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
CID 79863385
methanethiol;methyl 2-(oxolan-3-ylamino)acetate
CID 156892009
1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate
CID 157218745
methyl 3-(2-amino-5-methylcyclohexyl)sulfanylpropanoate
CID 64614352

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminooxan-3-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-aminooxan-3-yl)sulfanylacetate (CID 64613955) is methyl 2-(4-aminooxan-3-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-aminooxan-3-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-aminooxan-3-yl)sulfanylacetate is COC(=O)CSC1COCCC1N.
What is the InChIKey of methyl 2-(4-aminooxan-3-yl)sulfanylacetate?
The InChIKey is GOFLMFOAKYYYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-11-8(10)5-13-7-4-12-3-2-6(7)9/h6-7H,2-5,9H2,1H3.
What are the key properties of methyl 2-(4-aminooxan-3-yl)sulfanylacetate?
methyl 2-(4-aminooxan-3-yl)sulfanylacetate has a molecular weight of 205.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminooxan-3-yl)sulfanylacetate is sourced from PubChem (CID 64613955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).