N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C11H18ClNOS — CID 2966635

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCc1ccc(CNCC2CCCO2)s1.Cl
InChIInChI=1S/C11H17NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h4-5,10,12H,2-3,6-8H2,1H3;1H
InChIKeySSIPJLOTDQKKCI-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.75
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 2966635) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID2966635
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCc1ccc(CNCC2CCCO2)s1.Cl
InChIInChI=1S/C11H17NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h4-5,10,12H,2-3,6-8H2,1H3;1H
InChIKeySSIPJLOTDQKKCI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 2966635) is N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is Cc1ccc(CNCC2CCCO2)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is SSIPJLOTDQKKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h4-5,10,12H,2-3,6-8H2,1H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 2966635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).