N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine

C10H14BrNOS — CID 131025793

IUPACN-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2ccsc2Br)CCOC1
InChIInChI=1S/C10H14BrNOS/c1-10(3-4-13-7-10)12-6-8-2-5-14-9(8)11/h2,5,12H,3-4,6-7H2,1H3
InChIKeyKLABRQPGZHBRJI-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds3

About N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine

N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine (PubChem CID 131025793) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
PubChem CID131025793
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2ccsc2Br)CCOC1
InChIInChI=1S/C10H14BrNOS/c1-10(3-4-13-7-10)12-6-8-2-5-14-9(8)11/h2,5,12H,3-4,6-7H2,1H3
InChIKeyKLABRQPGZHBRJI-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-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine (CID 131025793) is N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine is CC1(NCc2ccsc2Br)CCOC1.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine?
The InChIKey is KLABRQPGZHBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-10(3-4-13-7-10)12-6-8-2-5-14-9(8)11/h2,5,12H,3-4,6-7H2,1H3.
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine?
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-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-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 131025793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).