(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine

C10H13NS — CID 167221524

IUPAC(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
SMILESCC(C)C1=CS[C@H]2[C@@H]1C=CC=N2
InChIInChI=1S/C10H13NS/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-8,10H,1-2H3/t8-,10+/m1/s1
InChIKeyLTRWLJHOSVPVNS-SCZZXKLOSA-N
MW179.28 g/mol
LogP1.60
Rot. Bonds1

About (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine

(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine (PubChem CID 167221524) has the molecular formula C10H13NS and a molecular weight of 179.28 g/mol. Its IUPAC name is (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
PubChem CID167221524
Molecular FormulaC10H13NS
Molecular Weight179.28 g/mol
Exact Mass179.08
IUPAC Name(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
SMILESCC(C)C1=CS[C@H]2[C@@H]1C=CC=N2
InChIInChI=1S/C10H13NS/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-8,10H,1-2H3/t8-,10+/m1/s1
InChIKeyLTRWLJHOSVPVNS-SCZZXKLOSA-N
XLogP1.60
TPSA37.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The IUPAC name of (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine (CID 167221524) is (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine is CC(C)C1=CS[C@H]2[C@@H]1C=CC=N2.
What is the InChIKey of (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The InChIKey is LTRWLJHOSVPVNS-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H13NS/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-8,10H,1-2H3/t8-,10+/m1/s1.
What are the key properties of (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine has a molecular weight of 179.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 167221524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).