1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C14H15NO3S2 — CID 104538378

IUPAC1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESO=S(=O)(c1cccs1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C14H15NO3S2/c16-13-7-3-9-15(12-6-2-1-5-11(12)13)20(17,18)14-8-4-10-19-14/h1-2,4-6,8,10,13,16H,3,7,9H2
InChIKeyAQNIOLKPWRIINK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.77
Rot. Bonds2

About 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 104538378) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID104538378
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESO=S(=O)(c1cccs1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C14H15NO3S2/c16-13-7-3-9-15(12-6-2-1-5-11(12)13)20(17,18)14-8-4-10-19-14/h1-2,4-6,8,10,13,16H,3,7,9H2
InChIKeyAQNIOLKPWRIINK-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636432
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
(5S)-1-(4-methylsulfanylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 97352542
1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114337506
methyl 2-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]propanoate
CID 114337510
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
CID 110672703
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
CID 110361536
1-(3-bromothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335900
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 104538378) is 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol is O=S(=O)(c1cccs1)N1CCCC(O)c2ccccc21.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is AQNIOLKPWRIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c16-13-7-3-9-15(12-6-2-1-5-11(12)13)20(17,18)14-8-4-10-19-14/h1-2,4-6,8,10,13,16H,3,7,9H2.
What are the key properties of 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 309.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 104538378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).