(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine

C11H17NOS — CID 81329828

IUPAC(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCC(C)O1
InChIInChI=1S/C11H17NOS/c1-7-5-6-14-11(7)10(12)9-4-3-8(2)13-9/h5-6,8-10H,3-4,12H2,1-2H3
InChIKeyFDJAENJPVOKIDK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.62
Rot. Bonds2

About (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine

(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 81329828) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID81329828
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCC(C)O1
InChIInChI=1S/C11H17NOS/c1-7-5-6-14-11(7)10(12)9-4-3-8(2)13-9/h5-6,8-10H,3-4,12H2,1-2H3
InChIKeyFDJAENJPVOKIDK-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
[(3-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107362358
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
1-N-methyl-1-N-(2-methyloxolan-3-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine
CID 82731832
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 81329828) is (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1CCC(C)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is FDJAENJPVOKIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7-5-6-14-11(7)10(12)9-4-3-8(2)13-9/h5-6,8-10H,3-4,12H2,1-2H3.
What are the key properties of (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine?
(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 81329828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).