(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine

C12H15N3S — CID 141411026

IUPAC(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3sccc23)C1
InChIInChI=1S/C12H15N3S/c13-9-2-1-6-15(8-9)11-3-5-14-12-10(11)4-7-16-12/h3-5,7,9H,1-2,6,8,13H2/t9-/m0/s1
InChIKeySBXUQEGWRDWYMR-VIFPVBQESA-N
MW233.34 g/mol
LogP2.22
Rot. Bonds1

About (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine

(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine (PubChem CID 141411026) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
PubChem CID141411026
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3sccc23)C1
InChIInChI=1S/C12H15N3S/c13-9-2-1-6-15(8-9)11-3-5-14-12-10(11)4-7-16-12/h3-5,7,9H,1-2,6,8,13H2/t9-/m0/s1
InChIKeySBXUQEGWRDWYMR-VIFPVBQESA-N
XLogP2.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 123327460
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
1-(1-methylpyrrolo[3,2-b]pyridin-7-yl)piperidin-3-amine
CID 83840471
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-amine
CID 102549121
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059

Frequently Asked Questions

What is the IUPAC name of (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine?
The IUPAC name of (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine (CID 141411026) is (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine?
The canonical SMILES for (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine is N[C@H]1CCCN(c2ccnc3sccc23)C1.
What is the InChIKey of (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine?
The InChIKey is SBXUQEGWRDWYMR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3S/c13-9-2-1-6-15(8-9)11-3-5-14-12-10(11)4-7-16-12/h3-5,7,9H,1-2,6,8,13H2/t9-/m0/s1.
What are the key properties of (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine?
(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine has a molecular weight of 233.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine is sourced from PubChem (CID 141411026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).