(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide

C12H15BrN2O2S — CID 93380872

IUPAC(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-7-2-3-8(11(14)16)5-15(7)12(17)9-4-10(13)18-6-9/h4,6-8H,2-3,5H2,1H3,(H2,14,16)/t7-,8+/m1/s1
InChIKeyJUNMUAALCWIJQL-SFYZADRCSA-N
MW331.24 g/mol
LogP2.24
Rot. Bonds2

About (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide

(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 93380872) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID93380872
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-7-2-3-8(11(14)16)5-15(7)12(17)9-4-10(13)18-6-9/h4,6-8H,2-3,5H2,1H3,(H2,14,16)/t7-,8+/m1/s1
InChIKeyJUNMUAALCWIJQL-SFYZADRCSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 93380872) is (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(Br)c1.
What is the InChIKey of (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is JUNMUAALCWIJQL-SFYZADRCSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-7-2-3-8(11(14)16)5-15(7)12(17)9-4-10(13)18-6-9/h4,6-8H,2-3,5H2,1H3,(H2,14,16)/t7-,8+/m1/s1.
What are the key properties of (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 93380872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).