5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C14H15NS2 — CID 150399305

IUPAC5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1csc(SC2CNCCc3ccccc32)c1
InChIInChI=1S/C14H15NS2/c1-2-5-12-11(4-1)7-8-15-10-13(12)17-14-6-3-9-16-14/h1-6,9,13,15H,7-8,10H2
InChIKeyHDKONGUHJVPCEC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds2

About 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine

5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 150399305) has the molecular formula C14H15NS2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID150399305
Molecular FormulaC14H15NS2
Molecular Weight261.41 g/mol
Exact Mass261.06
IUPAC Name5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1csc(SC2CNCCc3ccccc32)c1
InChIInChI=1S/C14H15NS2/c1-2-5-12-11(4-1)7-8-15-10-13(12)17-14-6-3-9-16-14/h1-6,9,13,15H,7-8,10H2
InChIKeyHDKONGUHJVPCEC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine with MolForge

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Related Compounds

5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 84717049
2-thiophen-2-ylsulfanylcyclopentan-1-one
CID 43801922
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
5-(oxan-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 146304906
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869352
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
CID 67829794
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
CID 75386042
N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
CID 97237561
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 150399305) is 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine is c1csc(SC2CNCCc3ccccc32)c1.
What is the InChIKey of 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is HDKONGUHJVPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c1-2-5-12-11(4-1)7-8-15-10-13(12)17-14-6-3-9-16-14/h1-6,9,13,15H,7-8,10H2.
What are the key properties of 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 150399305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).