2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine

C8H14N2O2S2 — CID 112645685

IUPAC2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cncs1
InChIInChI=1S/C8H14N2O2S2/c1-7(2-9)4-14(11,12)5-8-3-10-6-13-8/h3,6-7H,2,4-5,9H2,1H3
InChIKeyMUJYRBXOORSHSG-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.65
Rot. Bonds5

About 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine

2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine (PubChem CID 112645685) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
PubChem CID112645685
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cncs1
InChIInChI=1S/C8H14N2O2S2/c1-7(2-9)4-14(11,12)5-8-3-10-6-13-8/h3,6-7H,2,4-5,9H2,1H3
InChIKeyMUJYRBXOORSHSG-UHFFFAOYSA-N
XLogP0.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202609
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 112645687
2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
CID 81202080
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645728
3-[(4-tert-butylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81198026
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112645708
3-(1,3-thiazol-5-ylmethylsulfanyl)butan-1-amine
CID 112640847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine (CID 112645685) is 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)Cc1cncs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine?
The InChIKey is MUJYRBXOORSHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-7(2-9)4-14(11,12)5-8-3-10-6-13-8/h3,6-7H,2,4-5,9H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine?
2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 112645685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).