3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

C13H24N2O2S2 — CID 105019182

IUPAC3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H24N2O2S2/c1-6-7-14-11(13(3,4)19(5,16)17)8-12-15-10(2)9-18-12/h9,11,14H,6-8H2,1-5H3
InChIKeyMXIXDVGTURQILY-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.19
Rot. Bonds7

About 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 105019182) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
PubChem CID105019182
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H24N2O2S2/c1-6-7-14-11(13(3,4)19(5,16)17)8-12-15-10(2)9-18-12/h9,11,14H,6-8H2,1-5H3
InChIKeyMXIXDVGTURQILY-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 116727125
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 115824151
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (CID 105019182) is 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is CCCNC(Cc1nc(C)cs1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is MXIXDVGTURQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-6-7-14-11(13(3,4)19(5,16)17)8-12-15-10(2)9-18-12/h9,11,14H,6-8H2,1-5H3.
What are the key properties of 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105019182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).