1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine

C15H28N2O2S2 — CID 105015897

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H28N2O2S2/c1-8-16-11(15(5,6)21(7,18)19)9-13-17-12(10-20-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyWAMVJAWEIVGPTA-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 105015897) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
PubChem CID105015897
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H28N2O2S2/c1-8-16-11(15(5,6)21(7,18)19)9-13-17-12(10-20-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyWAMVJAWEIVGPTA-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 105019182
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720237
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105169530
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325005
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine (CID 105015897) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine is CCNC(Cc1nc(C(C)(C)C)cs1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is WAMVJAWEIVGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-8-16-11(15(5,6)21(7,18)19)9-13-17-12(10-20-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 332.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105015897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).