1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

C14H25N3O2S2 — CID 86789760

IUPAC1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3
InChIKeyVTQMLORTAOBQJW-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (PubChem CID 86789760) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
PubChem CID86789760
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3
InChIKeyVTQMLORTAOBQJW-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (CID 86789760) is 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is CCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is VTQMLORTAOBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 331.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 86789760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).