4-(5-methylthiophen-3-yl)oxan-4-amine

C10H15NOS — CID 65099462

IUPAC4-(5-methylthiophen-3-yl)oxan-4-amine
SMILESCc1cc(C2(N)CCOCC2)cs1
InChIInChI=1S/C10H15NOS/c1-8-6-9(7-13-8)10(11)2-4-12-5-3-10/h6-7H,2-5,11H2,1H3
InChIKeyBCGHISNQWHUCFC-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.02
Rot. Bonds1

About 4-(5-methylthiophen-3-yl)oxan-4-amine

4-(5-methylthiophen-3-yl)oxan-4-amine (PubChem CID 65099462) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(5-methylthiophen-3-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(5-methylthiophen-3-yl)oxan-4-amine
PubChem CID65099462
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(5-methylthiophen-3-yl)oxan-4-amine
SMILESCc1cc(C2(N)CCOCC2)cs1
InChIInChI=1S/C10H15NOS/c1-8-6-9(7-13-8)10(11)2-4-12-5-3-10/h6-7H,2-5,11H2,1H3
InChIKeyBCGHISNQWHUCFC-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-3-yl)oxan-4-amine?
The IUPAC name of 4-(5-methylthiophen-3-yl)oxan-4-amine (CID 65099462) is 4-(5-methylthiophen-3-yl)oxan-4-amine.
What is the SMILES notation for 4-(5-methylthiophen-3-yl)oxan-4-amine?
The canonical SMILES for 4-(5-methylthiophen-3-yl)oxan-4-amine is Cc1cc(C2(N)CCOCC2)cs1.
What is the InChIKey of 4-(5-methylthiophen-3-yl)oxan-4-amine?
The InChIKey is BCGHISNQWHUCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-6-9(7-13-8)10(11)2-4-12-5-3-10/h6-7H,2-5,11H2,1H3.
What are the key properties of 4-(5-methylthiophen-3-yl)oxan-4-amine?
4-(5-methylthiophen-3-yl)oxan-4-amine has a molecular weight of 197.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-3-yl)oxan-4-amine is sourced from PubChem (CID 65099462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).