methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate

C14H21NO2S — CID 82894760

IUPACmethyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNC2CCCCC2)s1
InChIInChI=1S/C14H21NO2S/c1-17-14(16)9-12-7-8-13(18-12)10-15-11-5-3-2-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyCHFWFQNDQFWWMJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate (PubChem CID 82894760) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
PubChem CID82894760
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNC2CCCCC2)s1
InChIInChI=1S/C14H21NO2S/c1-17-14(16)9-12-7-8-13(18-12)10-15-11-5-3-2-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyCHFWFQNDQFWWMJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate 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-[5-[[(3-methylsulfanylcyclohexyl)amino]methyl]thiophen-2-yl]acetate
CID 103923019
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894804
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894379
methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
methyl 2-[5-[[(3-hydroxycyclobutyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894526
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82893926
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate (CID 82894760) is methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNC2CCCCC2)s1.
What is the InChIKey of methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is CHFWFQNDQFWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-14(16)9-12-7-8-13(18-12)10-15-11-5-3-2-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3.
What are the key properties of methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 267.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82894760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).