N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C12H21N3O2S2 — CID 54883279

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCc1ncc(CNC2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-12-14-9-11(18-12)8-13-10-4-6-15(7-5-10)19(2,16)17/h9-10,13H,3-8H2,1-2H3
InChIKeyOCMBMEMDTQMZGI-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.22
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 54883279) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID54883279
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCc1ncc(CNC2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-12-14-9-11(18-12)8-13-10-4-6-15(7-5-10)19(2,16)17/h9-10,13H,3-8H2,1-2H3
InChIKeyOCMBMEMDTQMZGI-UHFFFAOYSA-N
XLogP1.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 54883279) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine is CCc1ncc(CNC2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is OCMBMEMDTQMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-12-14-9-11(18-12)8-13-10-4-6-15(7-5-10)19(2,16)17/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 54883279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).