2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide

C12H17BrN2OS — CID 82765475

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CCCC1N
InChIInChI=1S/C12H17BrN2OS/c1-12(6-2-3-9(12)14)11(16)15-7-8-4-5-10(13)17-8/h4-5,9H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyRXEIBNBRDGMJQP-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 82765475) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID82765475
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CCCC1N
InChIInChI=1S/C12H17BrN2OS/c1-12(6-2-3-9(12)14)11(16)15-7-8-4-5-10(13)17-8/h4-5,9H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyRXEIBNBRDGMJQP-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
CID 66248690
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82763927
1-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441792
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628561

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide (CID 82765475) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2ccc(Br)s2)CCCC1N.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is RXEIBNBRDGMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-12(6-2-3-9(12)14)11(16)15-7-8-4-5-10(13)17-8/h4-5,9H,2-3,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).