methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate

C12H21NO2S — CID 107778479

IUPACmethyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC(N)C2CC2)CC1
InChIInChI=1S/C12H21NO2S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9-10H,2-8,13H2,1H3
InChIKeyWLYSOORIGTYKJO-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.80
Rot. Bonds7

About methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107778479) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107778479
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC(N)C2CC2)CC1
InChIInChI=1S/C12H21NO2S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9-10H,2-8,13H2,1H3
InChIKeyWLYSOORIGTYKJO-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[1-[(3-amino-1,1,1-trifluoropentan-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777359
Methyl 2-[1-[(3-amino-1,1,1-trifluorobutan-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777383
Methyl 2-[3-(1-aminoethyl)thiolan-3-yl]acetate
CID 66097273
Methyl 2-[4-(1-aminoethyl)thian-4-yl]acetate
CID 66098113
Methyl 2-(3-aminopropylsulfanyl)-2-cyclopropylacetate
CID 66217024
Methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate
CID 66218138
Methyl 2-(4-aminobutan-2-ylsulfanyl)-2-cyclopropylacetate
CID 66225560
Methyl 2-(2-aminobutylsulfanyl)-2-cyclopropylacetate
CID 66229340
Methyl 2-(3-aminobutylsulfanyl)-2-cyclopropylacetate
CID 66232106
Methyl 2-(3-amino-2-methylpropyl)sulfanyl-2-cyclopropylacetate
CID 66232738
Methyl 2-(1-aminopropan-2-ylsulfanyl)-2-cyclopropylacetate
CID 66244726
Methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107775844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate (CID 107778479) is methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCC(N)C2CC2)CC1.
What is the InChIKey of methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is WLYSOORIGTYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9-10H,2-8,13H2,1H3.
What are the key properties of methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 243.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).