1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H20N2O3S2 — CID 82440799

IUPAC1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCS(=O)(=O)Cc1nc(COC)c(CNC)s1
InChIInChI=1S/C11H20N2O3S2/c1-4-5-18(14,15)8-11-13-9(7-16-3)10(17-11)6-12-2/h12H,4-8H2,1-3H3
InChIKeyHVCZDZLYCZOQJK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.33
Rot. Bonds8

About 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82440799) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82440799
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCS(=O)(=O)Cc1nc(COC)c(CNC)s1
InChIInChI=1S/C11H20N2O3S2/c1-4-5-18(14,15)8-11-13-9(7-16-3)10(17-11)6-12-2/h12H,4-8H2,1-3H3
InChIKeyHVCZDZLYCZOQJK-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82440799) is 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCCS(=O)(=O)Cc1nc(COC)c(CNC)s1.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HVCZDZLYCZOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-5-18(14,15)8-11-13-9(7-16-3)10(17-11)6-12-2/h12H,4-8H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 292.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82440799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).