4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine

C10H14BrNOS — CID 63220178

IUPAC4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(Br)cs2)CCOCC1
InChIInChI=1S/C10H14BrNOS/c11-8-5-9(14-7-8)6-10(12)1-3-13-4-2-10/h5,7H,1-4,6,12H2
InChIKeyFCQPDHNFGYMBHJ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.56
Rot. Bonds2

About 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine

4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine (PubChem CID 63220178) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
PubChem CID63220178
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(Br)cs2)CCOCC1
InChIInChI=1S/C10H14BrNOS/c11-8-5-9(14-7-8)6-10(12)1-3-13-4-2-10/h5,7H,1-4,6,12H2
InChIKeyFCQPDHNFGYMBHJ-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine (CID 63220178) is 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine is NC1(Cc2cc(Br)cs2)CCOCC1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine?
The InChIKey is FCQPDHNFGYMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-5-9(14-7-8)6-10(12)1-3-13-4-2-10/h5,7H,1-4,6,12H2.
What are the key properties of 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine?
4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine has a molecular weight of 276.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 63220178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).