methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate

C13H21NO3S — CID 115907658

IUPACmethyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
SMILESCCC(CCO)NCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C13H21NO3S/c1-3-10(6-7-15)14-9-12-5-4-11(18-12)8-13(16)17-2/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyLIPRDSOAVCZQGR-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.71
Rot. Bonds8

About methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate (PubChem CID 115907658) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
PubChem CID115907658
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
SMILESCCC(CCO)NCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C13H21NO3S/c1-3-10(6-7-15)14-9-12-5-4-11(18-12)8-13(16)17-2/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyLIPRDSOAVCZQGR-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
methyl 2-[5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophen-2-yl]acetate
CID 115907619
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 82894730
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
2-[5-[(1-cyanobutan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82895030
methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894379
methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82886056
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
methyl 2-[5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82893986

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate (CID 115907658) is methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate is CCC(CCO)NCc1ccc(CC(=O)OC)s1.
What is the InChIKey of methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is LIPRDSOAVCZQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-10(6-7-15)14-9-12-5-4-11(18-12)8-13(16)17-2/h4-5,10,14-15H,3,6-9H2,1-2H3.
What are the key properties of methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 271.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 115907658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).