(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H19NS — CID 155312390

IUPAC(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@@H]1c2ccsc2CCN1C(C)(C)C
InChIInChI=1S/C12H19NS/c1-9-10-6-8-14-11(10)5-7-13(9)12(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyBLLWJIWCYTUYOM-SECBINFHSA-N
MW209.36 g/mol
LogP3.47
Rot. Bonds

About (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 155312390) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID155312390
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@@H]1c2ccsc2CCN1C(C)(C)C
InChIInChI=1S/C12H19NS/c1-9-10-6-8-14-11(10)5-7-13(9)12(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyBLLWJIWCYTUYOM-SECBINFHSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)nonan-1-amine
CID 63466122
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
2,2-dimethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanenitrile
CID 65251827
2-cyclopropyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-amine
CID 55009206
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butan-1-amine
CID 55056659
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
CID 60699752
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
N-ethyl-2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentan-1-amine
CID 62256067
5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 83085545
4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929810

Frequently Asked Questions

What is the IUPAC name of (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 155312390) is (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is C[C@@H]1c2ccsc2CCN1C(C)(C)C.
What is the InChIKey of (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BLLWJIWCYTUYOM-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-10-6-8-14-11(10)5-7-13(9)12(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 209.36 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 155312390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).