(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

C17H24N2O2S2 — CID 51728146

IUPAC(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C17H24N2O2S2/c1-5-6-17-18-15(12-22-17)11-19(3)13(2)14-7-9-16(10-8-14)23(4,20)21/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1
InChIKeyJTFPUHAVWNCSRI-CYBMUJFWSA-N
MW352.53 g/mol
LogP3.69
Rot. Bonds7

About (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 51728146) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID51728146
Molecular FormulaC17H24N2O2S2
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC Name(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C17H24N2O2S2/c1-5-6-17-18-15(12-22-17)11-19(3)13(2)14-7-9-16(10-8-14)23(4,20)21/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1
InChIKeyJTFPUHAVWNCSRI-CYBMUJFWSA-N
XLogP3.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 51728146) is (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is CCCc1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is JTFPUHAVWNCSRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-5-6-17-18-15(12-22-17)11-19(3)13(2)14-7-9-16(10-8-14)23(4,20)21/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 352.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 51728146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).