N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide

C11H15BrN2OS2 — CID 82908410

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1CSCCN1
InChIInChI=1S/C11H15BrN2OS2/c1-14(5-8-4-10(12)17-6-8)11(15)9-7-16-3-2-13-9/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyLUXOBJCZLZEGDU-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.17
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82908410) has the molecular formula C11H15BrN2OS2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82908410
Molecular FormulaC11H15BrN2OS2
Molecular Weight335.29 g/mol
Exact Mass333.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1CSCCN1
InChIInChI=1S/C11H15BrN2OS2/c1-14(5-8-4-10(12)17-6-8)11(15)9-7-16-3-2-13-9/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyLUXOBJCZLZEGDU-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide (CID 82908410) is N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)C1CSCCN1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is LUXOBJCZLZEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS2/c1-14(5-8-4-10(12)17-6-8)11(15)9-7-16-3-2-13-9/h4,6,9,13H,2-3,5,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).