methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate

C10H19NO2S — CID 107776182

IUPACmethyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCCN)CC1
InChIInChI=1S/C10H19NO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8,11H2,1H3
InChIKeyRTWVNYUGZJAAJO-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.41
Rot. Bonds7

About methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate

methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107776182) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107776182
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCCN)CC1
InChIInChI=1S/C10H19NO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8,11H2,1H3
InChIKeyRTWVNYUGZJAAJO-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[1-[(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114000385
2-[1-(3-Aminopropylsulfanylmethyl)cyclopropyl]acetic acid
CID 65443484
2-[1-(2-Aminoethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65443696
Methyl 2-(2-aminoethylsulfanyl)-2-cyclopropylacetate
CID 65697193
Methyl 2-[3-(1-aminoethyl)thiolan-3-yl]acetate
CID 66097273
Methyl 2-[4-(1-aminoethyl)thian-4-yl]acetate
CID 66098113
Methyl 2-[4-(aminomethyl)thian-4-yl]acetate
CID 66099131
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate (CID 107776182) is methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate is COC(=O)CC1(CSCCCN)CC1.
What is the InChIKey of methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is RTWVNYUGZJAAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8,11H2,1H3.
What are the key properties of methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 217.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).