N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide

C12H16BrNO2S — CID 110015284

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CCCC1O
InChIInChI=1S/C12H16BrNO2S/c1-14(6-9-5-8(13)7-17-9)12(16)10-3-2-4-11(10)15/h5,7,10-11,15H,2-4,6H2,1H3
InChIKeyCKLJVQVBGQIMKR-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.63
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide (PubChem CID 110015284) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
PubChem CID110015284
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CCCC1O
InChIInChI=1S/C12H16BrNO2S/c1-14(6-9-5-8(13)7-17-9)12(16)10-3-2-4-11(10)15/h5,7,10-11,15H,2-4,6H2,1H3
InChIKeyCKLJVQVBGQIMKR-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
CID 66239265
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-oxocyclohexane-1-carboxamide
CID 115150459
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 78879991
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
cis-(1R,2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95235294
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide (CID 110015284) is N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide is CN(Cc1cc(Br)cs1)C(=O)C1CCCC1O.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is CKLJVQVBGQIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(6-9-5-8(13)7-17-9)12(16)10-3-2-4-11(10)15/h5,7,10-11,15H,2-4,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 110015284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).