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

C11H15BrN2O2S — CID 66248690

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)COCC1N
InChIInChI=1S/C11H15BrN2O2S/c1-11(6-16-5-8(11)13)10(15)14-4-7-2-3-9(12)17-7/h2-3,8H,4-6,13H2,1H3,(H,14,15)
InChIKeyRLRAGMQEAADDFG-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.49
Rot. Bonds3

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide (PubChem CID 66248690) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
PubChem CID66248690
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)COCC1N
InChIInChI=1S/C11H15BrN2O2S/c1-11(6-16-5-8(11)13)10(15)14-4-7-2-3-9(12)17-7/h2-3,8H,4-6,13H2,1H3,(H,14,15)
InChIKeyRLRAGMQEAADDFG-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide (CID 66248690) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide is CC1(C(=O)NCc2ccc(Br)s2)COCC1N.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide?
The InChIKey is RLRAGMQEAADDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-11(6-16-5-8(11)13)10(15)14-4-7-2-3-9(12)17-7/h2-3,8H,4-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).