methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate

C13H19NO2S — CID 115247640

IUPACmethyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2sccc2C)CC1
InChIInChI=1S/C13H19NO2S/c1-10-4-7-17-11(10)8-14(2)9-13(5-6-13)12(15)16-3/h4,7H,5-6,8-9H2,1-3H3
InChIKeyMOXFITZKUOOPCC-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.44
Rot. Bonds5

About methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate

methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247640) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
PubChem CID115247640
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2sccc2C)CC1
InChIInChI=1S/C13H19NO2S/c1-10-4-7-17-11(10)8-14(2)9-13(5-6-13)12(15)16-3/h4,7H,5-6,8-9H2,1-3H3
InChIKeyMOXFITZKUOOPCC-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-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 1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylate
CID 115247320
methyl 1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247618
methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247625
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247629
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247688
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119689274
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247483

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate (CID 115247640) is methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)Cc2sccc2C)CC1.
What is the InChIKey of methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is MOXFITZKUOOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-4-7-17-11(10)8-14(2)9-13(5-6-13)12(15)16-3/h4,7H,5-6,8-9H2,1-3H3.
What are the key properties of methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).