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

C11H18N2O2S2 — CID 55143872

IUPACN-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
SMILESCNCC1(Cc2cnc(C)s2)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O2S2/c1-9-13-6-10(16-9)5-11(7-12-2)3-4-17(14,15)8-11/h6,12H,3-5,7-8H2,1-2H3
InChIKeyPVGSOGHWXCIKSK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.02
Rot. Bonds4

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

N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 55143872) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
PubChem CID55143872
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
SMILESCNCC1(Cc2cnc(C)s2)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O2S2/c1-9-13-6-10(16-9)5-11(7-12-2)3-4-17(14,15)8-11/h6,12H,3-5,7-8H2,1-2H3
InChIKeyPVGSOGHWXCIKSK-UHFFFAOYSA-N
XLogP1.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine with MolForge

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Related Compounds

trans-(1R,2R)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 137988062
(1,1-Dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783585
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783586
N-[(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783587
N-[(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783588
2-(1,1-dioxothiolan-3-yl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785085
2-(1,1-Dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785431
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785698
2-(3,3-Dimethylbutyl)-5-(methylsulfonylmethyl)-1,3-thiazole
CID 59238412
N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride
CID 67194364
3-(2-Methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride
CID 67194366
2-methyl-N-[3-(2-methylsulfonyl-1,3-thiazol-5-yl)propyl]propane-2-sulfinamide
CID 77247977

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine (CID 55143872) is N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine is CNCC1(Cc2cnc(C)s2)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is PVGSOGHWXCIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-13-6-10(16-9)5-11(7-12-2)3-4-17(14,15)8-11/h6,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine?
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 55143872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).