4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

C9H16N2O2S2 — CID 105112960

IUPAC4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1ncsc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7-9(14-6-11-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3
InChIKeyAMANOYFVKZOLON-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.28
Rot. Bonds5

About 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 105112960) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID105112960
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1ncsc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7-9(14-6-11-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3
InChIKeyAMANOYFVKZOLON-UHFFFAOYSA-N
XLogP1.28
TPSA73.05 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105113497
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 82411798
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 105187648
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
CID 105084585
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 105112960) is 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is Cc1ncsc1C(N)CCCS(C)(=O)=O.
What is the InChIKey of 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is AMANOYFVKZOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7-9(14-6-11-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105112960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).