1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C14H18N4O2S — CID 114335905

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(N)c2ccccc21
InChIInChI=1S/C14H18N4O2S/c1-10-14(9-16-17-10)21(19,20)18-8-4-6-12(15)11-5-2-3-7-13(11)18/h2-3,5,7,9,12H,4,6,8,15H2,1H3,(H,16,17)
InChIKeyPGWXOUMSECSZDU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.71
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335905) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335905
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(N)c2ccccc21
InChIInChI=1S/C14H18N4O2S/c1-10-14(9-16-17-10)21(19,20)18-8-4-6-12(15)11-5-2-3-7-13(11)18/h2-3,5,7,9,12H,4,6,8,15H2,1H3,(H,16,17)
InChIKeyPGWXOUMSECSZDU-UHFFFAOYSA-N
XLogP1.71
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine with MolForge

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335900
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
CID 60814697
5-amino-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-sulfonamide
CID 114803243
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114803176
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114337443

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335905) is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is Cc1[nH]ncc1S(=O)(=O)N1CCCC(N)c2ccccc21.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is PGWXOUMSECSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-14(9-16-17-10)21(19,20)18-8-4-6-12(15)11-5-2-3-7-13(11)18/h2-3,5,7,9,12H,4,6,8,15H2,1H3,(H,16,17).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 306.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).