methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate

C11H14BrNO2S — CID 115247559

IUPACmethyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H14BrNO2S/c1-15-10(14)11(4-5-11)7-13-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3
InChIKeyNNHNTWFKQJCIMN-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.55
Rot. Bonds5

About methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247559) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID115247559
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Namemethyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H14BrNO2S/c1-15-10(14)11(4-5-11)7-13-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3
InChIKeyNNHNTWFKQJCIMN-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[(5-bromothiophen-2-yl)methylamino]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

N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130855560
Methyl 2-[(5-bromothiophen-2-yl)methylamino]-3-methylbutanoate
CID 22966542
Methyl 2-[(5-bromothiophen-2-yl)methylamino]acetate
CID 28432229
Methyl 3-[(5-bromothiophen-2-yl)methylamino]propanoate
CID 43139705
methyl (2R)-2-[(5-bromothiophen-2-yl)methylamino]-3-methylbutanoate
CID 59906036
Methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]propanoate
CID 60698869
methyl (2R)-2-[(5-bromothiophen-2-yl)methylamino]propanoate
CID 172379207
ethyl (3S)-1-[(5-bromothiophen-2-yl)methyl]piperidin-1-ium-3-carboxylate
CID 2056167
Ethyl 1-[(5-bromothiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 6939889
ethyl (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-1-ium-3-carboxylate
CID 6939994
N-[(5-bromothiophen-2-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 28719645
N-[(5-bromothiophen-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42953863

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate (CID 115247559) is methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNCc2ccc(Br)s2)CC1.
What is the InChIKey of methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is NNHNTWFKQJCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-15-10(14)11(4-5-11)7-13-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3.
What are the key properties of methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 304.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).