(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone

C12H14ClNO2S — CID 126853103

IUPAC(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C12H14ClNO2S/c13-11-5-9-6-14(3-1-10(9)17-11)12(15)8-2-4-16-7-8/h5,8H,1-4,6-7H2
InChIKeyPMDXPPYKOIISLM-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.32
Rot. Bonds1

About (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone

(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone (PubChem CID 126853103) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
PubChem CID126853103
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C12H14ClNO2S/c13-11-5-9-6-14(3-1-10(9)17-11)12(15)8-2-4-16-7-8/h5,8H,1-4,6-7H2
InChIKeyPMDXPPYKOIISLM-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3S)-oxolan-3-yl]methanone
CID 129348966
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
(2S)-2-[6-chloro-2-[(3R)-oxolane-3-carbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]pyrrolidine-1-carboxylic acid
CID 174160476
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(oxolan-3-yl)methanone
CID 70749177
4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 122162020
[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176865071
N-hydroxy-4-(oxolane-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440159
[7-(3-chlorophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(oxolan-3-yl)methanone
CID 56755844
2-chloro-N-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 122162065
1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 122162030
2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122162038

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone (CID 126853103) is (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone?
The InChIKey is PMDXPPYKOIISLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-11-5-9-6-14(3-1-10(9)17-11)12(15)8-2-4-16-7-8/h5,8H,1-4,6-7H2.
What are the key properties of (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone?
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone has a molecular weight of 271.77 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 126853103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).