N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine

C10H14BrNOS — CID 43647101

IUPACN-[(5-bromothiophen-3-yl)methyl]oxan-4-amine
SMILESBrc1cc(CNC2CCOCC2)cs1
InChIInChI=1S/C10H14BrNOS/c11-10-5-8(7-14-10)6-12-9-1-3-13-4-2-9/h5,7,9,12H,1-4,6H2
InChIKeyKCPPNWYVTRSTMS-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine

N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine (PubChem CID 43647101) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]oxan-4-amine
PubChem CID43647101
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]oxan-4-amine
SMILESBrc1cc(CNC2CCOCC2)cs1
InChIInChI=1S/C10H14BrNOS/c11-10-5-8(7-14-10)6-12-9-1-3-13-4-2-9/h5,7,9,12H,1-4,6H2
InChIKeyKCPPNWYVTRSTMS-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine (CID 43647101) is N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine is Brc1cc(CNC2CCOCC2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine?
The InChIKey is KCPPNWYVTRSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-5-8(7-14-10)6-12-9-1-3-13-4-2-9/h5,7,9,12H,1-4,6H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine?
N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine has a molecular weight of 276.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 43647101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).