4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H17NS — CID 165470262

IUPAC4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CCC(C2NCCc3sccc32)CC1
InChIInChI=1S/C13H17NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-2,7,9-10,13-14H,3-6,8H2
InChIKeyDOGOLIHVXNPAPJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.29
Rot. Bonds1

About 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 165470262) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID165470262
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CCC(C2NCCc3sccc32)CC1
InChIInChI=1S/C13H17NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-2,7,9-10,13-14H,3-6,8H2
InChIKeyDOGOLIHVXNPAPJ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
CID 129015917
4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165470258
4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165478171
4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 130983385
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]pyrrolidine
CID 53238282
4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 102551191
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
2-cyclohex-3-en-1-yl-1,3-thiazinane
CID 66218259
(4S)-4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7062069
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632061
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62721784

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 165470262) is 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is C1=CCC(C2NCCc3sccc32)CC1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is DOGOLIHVXNPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-2,7,9-10,13-14H,3-6,8H2.
What are the key properties of 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 219.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 165470262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).