N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

C9H16N2O2S2 — CID 82191047

IUPACN-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCS(=O)(=O)Cc1ncc(CNC)s1
InChIInChI=1S/C9H16N2O2S2/c1-3-4-15(12,13)7-9-11-6-8(14-9)5-10-2/h6,10H,3-5,7H2,1-2H3
InChIKeyQJLDJEOTXNTOLC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.19
Rot. Bonds6

About N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82191047) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82191047
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCS(=O)(=O)Cc1ncc(CNC)s1
InChIInChI=1S/C9H16N2O2S2/c1-3-4-15(12,13)7-9-11-6-8(14-9)5-10-2/h6,10H,3-5,7H2,1-2H3
InChIKeyQJLDJEOTXNTOLC-UHFFFAOYSA-N
XLogP1.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
2-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82423476
2-methoxy-N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423472
2-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82423477
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82193645
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440799
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423390
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82191047) is N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is CCCS(=O)(=O)Cc1ncc(CNC)s1.
What is the InChIKey of N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QJLDJEOTXNTOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-3-4-15(12,13)7-9-11-6-8(14-9)5-10-2/h6,10H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82191047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).