3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride

C14H20ClN3O2S2 — CID 120779790

IUPAC3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cnc3ccsc3c2)CCC1N.Cl
InChIInChI=1S/C14H19N3O2S2.ClH/c1-14(2)9-17(5-3-13(14)15)21(18,19)10-7-12-11(16-8-10)4-6-20-12;/h4,6-8,13H,3,5,9,15H2,1-2H3;1H
InChIKeyIDIXUHWSUTUWOO-UHFFFAOYSA-N
MW361.92 g/mol
LogP2.47
Rot. Bonds2

About 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride

3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120779790) has the molecular formula C14H20ClN3O2S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID120779790
Molecular FormulaC14H20ClN3O2S2
Molecular Weight361.92 g/mol
Exact Mass361.07
IUPAC Name3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cnc3ccsc3c2)CCC1N.Cl
InChIInChI=1S/C14H19N3O2S2.ClH/c1-14(2)9-17(5-3-13(14)15)21(18,19)10-7-12-11(16-8-10)4-6-20-12;/h4,6-8,13H,3,5,9,15H2,1-2H3;1H
InChIKeyIDIXUHWSUTUWOO-UHFFFAOYSA-N
XLogP2.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride (CID 120779790) is 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2cnc3ccsc3c2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is IDIXUHWSUTUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2.ClH/c1-14(2)9-17(5-3-13(14)15)21(18,19)10-7-12-11(16-8-10)4-6-20-12;/h4,6-8,13H,3,5,9,15H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).