(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine

C11H17NOS — CID 131160208

IUPAC(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine
SMILESCc1csc(C(N)C2CCCOC2)c1
InChIInChI=1S/C11H17NOS/c1-8-5-10(14-7-8)11(12)9-3-2-4-13-6-9/h5,7,9,11H,2-4,6,12H2,1H3
InChIKeyGDSFHGVIXDFOAB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.48
Rot. Bonds2

About (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine

(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine (PubChem CID 131160208) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine
PubChem CID131160208
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine
SMILESCc1csc(C(N)C2CCCOC2)c1
InChIInChI=1S/C11H17NOS/c1-8-5-10(14-7-8)11(12)9-3-2-4-13-6-9/h5,7,9,11H,2-4,6,12H2,1H3
InChIKeyGDSFHGVIXDFOAB-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
[cyclobutyl-(4-methylthiophen-2-yl)methyl]hydrazine
CID 131160598
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
CID 63739540
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
bis(oxan-3-yl)methanamine
CID 107136437
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(oxan-3-yl)methanamine
CID 63011221
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine (CID 131160208) is (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine is Cc1csc(C(N)C2CCCOC2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine?
The InChIKey is GDSFHGVIXDFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-10(14-7-8)11(12)9-3-2-4-13-6-9/h5,7,9,11H,2-4,6,12H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine?
(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 131160208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).