N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine

C9H16N2O2S2 — CID 105015213

IUPACN-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nccs1)C(C)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7(15(3,12)13)8(10-2)6-9-11-4-5-14-9/h4-5,7-8,10H,6H2,1-3H3
InChIKeyIDYUFNGFIPAURW-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.71
Rot. Bonds5

About N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine

N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 105015213) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID105015213
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nccs1)C(C)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7(15(3,12)13)8(10-2)6-9-11-4-5-14-9/h4-5,7-8,10H,6H2,1-3H3
InChIKeyIDYUFNGFIPAURW-UHFFFAOYSA-N
XLogP0.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
N-methyl-3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 104997856
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
1-(3,4-difluorophenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 113422166
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014878
N-methyl-1-(3-methylphenyl)-3-methylsulfonylbutan-2-amine
CID 113422160

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 105015213) is N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine is CNC(Cc1nccs1)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is IDYUFNGFIPAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(15(3,12)13)8(10-2)6-9-11-4-5-14-9/h4-5,7-8,10H,6H2,1-3H3.
What are the key properties of N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine?
N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 105015213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).