N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

C12H17BrN2O2S — CID 66267002

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrN2O2S/c1-14-11-6-17-5-10(11)12(16)15(2)4-9-3-8(13)7-18-9/h3,7,10-11,14H,4-6H2,1-2H3
InChIKeyWKPSAXJAMZKLKL-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267002) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267002
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrN2O2S/c1-14-11-6-17-5-10(11)12(16)15(2)4-9-3-8(13)7-18-9/h3,7,10-11,14H,4-6H2,1-2H3
InChIKeyWKPSAXJAMZKLKL-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266835
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
CID 66239265
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (CID 66267002) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is WKPSAXJAMZKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-14-11-6-17-5-10(11)12(16)15(2)4-9-3-8(13)7-18-9/h3,7,10-11,14H,4-6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 333.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).