N-(oxan-4-ylmethyl)thiophen-3-amine

C10H15NOS — CID 66351429

IUPACN-(oxan-4-ylmethyl)thiophen-3-amine
SMILESc1cc(NCC2CCOCC2)cs1
InChIInChI=1S/C10H15NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeySOFGOCHTPATXTH-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.59
Rot. Bonds3

About N-(oxan-4-ylmethyl)thiophen-3-amine

N-(oxan-4-ylmethyl)thiophen-3-amine (PubChem CID 66351429) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)thiophen-3-amine
PubChem CID66351429
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(oxan-4-ylmethyl)thiophen-3-amine
SMILESc1cc(NCC2CCOCC2)cs1
InChIInChI=1S/C10H15NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeySOFGOCHTPATXTH-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)thiophen-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)thiophen-3-amine (CID 66351429) is N-(oxan-4-ylmethyl)thiophen-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)thiophen-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)thiophen-3-amine is c1cc(NCC2CCOCC2)cs1.
What is the InChIKey of N-(oxan-4-ylmethyl)thiophen-3-amine?
The InChIKey is SOFGOCHTPATXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h3,6,8-9,11H,1-2,4-5,7H2.
What are the key properties of N-(oxan-4-ylmethyl)thiophen-3-amine?
N-(oxan-4-ylmethyl)thiophen-3-amine has a molecular weight of 197.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)thiophen-3-amine is sourced from PubChem (CID 66351429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).