N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine

C6H13NOS — CID 19889932

IUPACN-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine
SMILESCNCC1CSC(C)O1
InChIInChI=1S/C6H13NOS/c1-5-8-6(3-7-2)4-9-5/h5-7H,3-4H2,1-2H3
InChIKeyJGUCIPKRRQEQCS-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.68
Rot. Bonds2

About N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine

N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine (PubChem CID 19889932) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine
PubChem CID19889932
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine
SMILESCNCC1CSC(C)O1
InChIInChI=1S/C6H13NOS/c1-5-8-6(3-7-2)4-9-5/h5-7H,3-4H2,1-2H3
InChIKeyJGUCIPKRRQEQCS-UHFFFAOYSA-N
XLogP0.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine (CID 19889932) is N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine is CNCC1CSC(C)O1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine?
The InChIKey is JGUCIPKRRQEQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-8-6(3-7-2)4-9-5/h5-7H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine?
N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine has a molecular weight of 147.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-oxathiolan-5-yl)methanamine is sourced from PubChem (CID 19889932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).