N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine

C11H17NOS — CID 62719550

IUPACN-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(Cc2ccsc2)CCOC1
InChIInChI=1S/C11H17NOS/c1-12-8-11(3-4-13-9-11)6-10-2-5-14-7-10/h2,5,7,12H,3-4,6,8-9H2,1H3
InChIKeyKPZQSXMZVJAJPJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine

N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 62719550) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
PubChem CID62719550
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(Cc2ccsc2)CCOC1
InChIInChI=1S/C11H17NOS/c1-12-8-11(3-4-13-9-11)6-10-2-5-14-7-10/h2,5,7,12H,3-4,6,8-9H2,1H3
InChIKeyKPZQSXMZVJAJPJ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62390633
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 64891433
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine (CID 62719550) is N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine is CNCC1(Cc2ccsc2)CCOC1.
What is the InChIKey of N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is KPZQSXMZVJAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-12-8-11(3-4-13-9-11)6-10-2-5-14-7-10/h2,5,7,12H,3-4,6,8-9H2,1H3.
What are the key properties of N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62719550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).