methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate

C14H21NO3S — CID 103923326

IUPACmethyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCCC2SC)oc1C
InChIInChI=1S/C14H21NO3S/c1-9-11(14(16)17-2)7-10(18-9)8-15-12-5-4-6-13(12)19-3/h7,12-13,15H,4-6,8H2,1-3H3
InChIKeyHXIXNSJTPUNNQC-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate (PubChem CID 103923326) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
PubChem CID103923326
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCCC2SC)oc1C
InChIInChI=1S/C14H21NO3S/c1-9-11(14(16)17-2)7-10(18-9)8-15-12-5-4-6-13(12)19-3/h7,12-13,15H,4-6,8H2,1-3H3
InChIKeyHXIXNSJTPUNNQC-UHFFFAOYSA-N
XLogP2.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate (CID 103923326) is methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2CCCC2SC)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate?
The InChIKey is HXIXNSJTPUNNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-9-11(14(16)17-2)7-10(18-9)8-15-12-5-4-6-13(12)19-3/h7,12-13,15H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate has a molecular weight of 283.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 103923326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).