N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

C10H18N2O2S2 — CID 82193645

IUPACN-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCS(=O)(=O)Cc1nc(C)c(CNC)s1
InChIInChI=1S/C10H18N2O2S2/c1-4-5-16(13,14)7-10-12-8(2)9(15-10)6-11-3/h11H,4-7H2,1-3H3
InChIKeyGOGGKKZVLPCYJJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.50
Rot. Bonds6

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

N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82193645) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82193645
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCS(=O)(=O)Cc1nc(C)c(CNC)s1
InChIInChI=1S/C10H18N2O2S2/c1-4-5-16(13,14)7-10-12-8(2)9(15-10)6-11-3/h11H,4-7H2,1-3H3
InChIKeyGOGGKKZVLPCYJJ-UHFFFAOYSA-N
XLogP1.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62472745
1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440799
N-[[2-(ethylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426424
N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82191047
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 82193737
N-[[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426448
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
CID 82426410
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82193645) is N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is CCCS(=O)(=O)Cc1nc(C)c(CNC)s1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GOGGKKZVLPCYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-4-5-16(13,14)7-10-12-8(2)9(15-10)6-11-3/h11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82193645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).