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

C11H20N2O2S2 — CID 114984204

IUPAC3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1scnc1C
InChIInChI=1S/C11H20N2O2S2/c1-4-6-12-10(5-7-17(3,14)15)11-9(2)13-8-16-11/h8,10,12H,4-7H2,1-3H3
InChIKeyPTVNJGPEDUSITK-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.93
Rot. Bonds7

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

3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 114984204) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
PubChem CID114984204
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1scnc1C
InChIInChI=1S/C11H20N2O2S2/c1-4-6-12-10(5-7-17(3,14)15)11-9(2)13-8-16-11/h8,10,12H,4-7H2,1-3H3
InChIKeyPTVNJGPEDUSITK-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
CID 114984252
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105112960
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105135164
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114984287

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (CID 114984204) is 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is CCCNC(CCS(C)(=O)=O)c1scnc1C.
What is the InChIKey of 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is PTVNJGPEDUSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-6-12-10(5-7-17(3,14)15)11-9(2)13-8-16-11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114984204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).