N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C11H17NOS — CID 2967138

IUPACN-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccsc1CNCC1CCCO1
InChIInChI=1S/C11H17NOS/c1-9-4-6-14-11(9)8-12-7-10-3-2-5-13-10/h4,6,10,12H,2-3,5,7-8H2,1H3
InChIKeyKZUZUVORESWVGR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 2967138) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID2967138
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccsc1CNCC1CCCO1
InChIInChI=1S/C11H17NOS/c1-9-4-6-14-11(9)8-12-7-10-3-2-5-13-10/h4,6,10,12H,2-3,5,7-8H2,1H3
InChIKeyKZUZUVORESWVGR-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 2967138) is N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccsc1CNCC1CCCO1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is KZUZUVORESWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-4-6-14-11(9)8-12-7-10-3-2-5-13-10/h4,6,10,12H,2-3,5,7-8H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 2967138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).