methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate

C14H21NO3S — CID 107777389

IUPACmethyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSC(c2ccco2)C(C)N)CC1
InChIInChI=1S/C14H21NO3S/c1-10(15)13(11-4-3-7-18-11)19-9-14(5-6-14)8-12(16)17-2/h3-4,7,10,13H,5-6,8-9,15H2,1-2H3
InChIKeyJABUUGXAKHTXSU-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.74
Rot. Bonds7

About methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107777389) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate
PubChem CID107777389
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSC(c2ccco2)C(C)N)CC1
InChIInChI=1S/C14H21NO3S/c1-10(15)13(11-4-3-7-18-11)19-9-14(5-6-14)8-12(16)17-2/h3-4,7,10,13H,5-6,8-9,15H2,1-2H3
InChIKeyJABUUGXAKHTXSU-UHFFFAOYSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate with MolForge

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Related Compounds

methyl 2-[1-[(2-amino-1-pyridin-2-ylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777330
methyl 2-[1-[[2-[(1S)-1-aminoethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777532
methyl 2-[1-[[4-[(1S)-1-aminoethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777523
methyl 2-[1-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107777673
methyl 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107775991
methyl 2-[1-(pentan-3-ylsulfanylmethyl)cyclopropyl]acetate
CID 107775972
2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442281
methyl 2-[1-(pentan-2-ylsulfanylmethyl)cyclopropyl]acetate
CID 107890184
3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]-2-methylbutanoic acid
CID 107775863
methyl 2-[1-[[2-[(1S)-1-hydroxyethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778461
methyl 2-[1-[[2-[(1R)-1-aminopropyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777519
methyl 2-[1-[[4-[(1S)-1-aminoethyl]-2-bromophenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777524

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate (CID 107777389) is methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSC(c2ccco2)C(C)N)CC1.
What is the InChIKey of methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is JABUUGXAKHTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(15)13(11-4-3-7-18-11)19-9-14(5-6-14)8-12(16)17-2/h3-4,7,10,13H,5-6,8-9,15H2,1-2H3.
What are the key properties of methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 283.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).