(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide

C11H14BrNO2S — CID 103872749

IUPAC(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h5,7,9H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyNZFFQDIJRMHBMW-VIFPVBQESA-N
MW304.21 g/mol
LogP2.65
Rot. Bonds3

About (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide

(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide (PubChem CID 103872749) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
PubChem CID103872749
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h5,7,9H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyNZFFQDIJRMHBMW-VIFPVBQESA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94198642
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[(5-bromothiophen-3-yl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54984169
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266835
N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82908410
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 82767513
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide (CID 103872749) is (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is NZFFQDIJRMHBMW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h5,7,9H,2-4,6H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide?
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 103872749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).