2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine

C10H18N2O2S2 — CID 116633709

IUPAC2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(C)(N)c1csc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18N2O2S2/c1-5-10(3,11)8-6-15-9(12-8)7(2)16(4,13)14/h6-7H,5,11H2,1-4H3
InChIKeyVGJNJKACCJLHAM-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.83
Rot. Bonds4

About 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine

2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 116633709) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine
PubChem CID116633709
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(C)(N)c1csc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18N2O2S2/c1-5-10(3,11)8-6-15-9(12-8)7(2)16(4,13)14/h6-7H,5,11H2,1-4H3
InChIKeyVGJNJKACCJLHAM-UHFFFAOYSA-N
XLogP1.83
TPSA73.05 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116633715
2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
CID 116633705
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116705311
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
CID 99843487
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-[2-(1-methoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116502253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine (CID 116633709) is 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine is CCC(C)(N)c1csc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is VGJNJKACCJLHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-5-10(3,11)8-6-15-9(12-8)7(2)16(4,13)14/h6-7H,5,11H2,1-4H3.
What are the key properties of 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine?
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 116633709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).