2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C10H18N2O2S2 — CID 115665483

IUPAC2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1csc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H18N2O2S2/c1-10(2,3)11-5-8-6-15-9(12-8)7-16(4,13)14/h6,11H,5,7H2,1-4H3
InChIKeySXVYNECVPCKLNZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 115665483) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID115665483
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1csc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H18N2O2S2/c1-10(2,3)11-5-8-6-15-9(12-8)7-16(4,13)14/h6,11H,5,7H2,1-4H3
InChIKeySXVYNECVPCKLNZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
1-(1-adamantyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 75423297
(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
CID 99580177
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
4-(but-2-ynylsulfanylmethyl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 91660659
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51120109
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine
CID 154740060
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
CID 79789614
4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
CID 166373193
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 115665483) is 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1csc(CS(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is SXVYNECVPCKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-10(2,3)11-5-8-6-15-9(12-8)7-16(4,13)14/h6,11H,5,7H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 115665483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).