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

C11H17NOS — CID 62906714

IUPAC(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
SMILESCc1ccsc1C(N)C1CCOCC1
InChIInChI=1S/C11H17NOS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10H,2-3,5-6,12H2,1H3
InChIKeyBLCQFZJUJXDCNU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.48
Rot. Bonds2

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

(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine (PubChem CID 62906714) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
PubChem CID62906714
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
SMILESCc1ccsc1C(N)C1CCOCC1
InChIInChI=1S/C11H17NOS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10H,2-3,5-6,12H2,1H3
InChIKeyBLCQFZJUJXDCNU-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

4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 83823387
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 81329828
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine (CID 62906714) is (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine is Cc1ccsc1C(N)C1CCOCC1.
What is the InChIKey of (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is BLCQFZJUJXDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10H,2-3,5-6,12H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine?
(3-methylthiophen-2-yl)-(oxan-4-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 (3-methylthiophen-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 62906714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).