1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C14H18N4O2S — CID 114335947

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(S(=O)(=O)c2cnc[nH]2)c2ccccc21
InChIInChI=1S/C14H18N4O2S/c1-15-12-6-4-8-18(13-7-3-2-5-11(12)13)21(19,20)14-9-16-10-17-14/h2-3,5,7,9-10,12,15H,4,6,8H2,1H3,(H,16,17)
InChIKeyIXIKRCADZGFGDP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.66
Rot. Bonds3

About 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335947) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335947
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(S(=O)(=O)c2cnc[nH]2)c2ccccc21
InChIInChI=1S/C14H18N4O2S/c1-15-12-6-4-8-18(13-7-3-2-5-11(12)13)21(19,20)14-9-16-10-17-14/h2-3,5,7,9-10,12,15H,4,6,8H2,1H3,(H,16,17)
InChIKeyIXIKRCADZGFGDP-UHFFFAOYSA-N
XLogP1.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine with MolForge

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Related Compounds

N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335951
1-(3-methoxypropylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335936
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
4-(1H-imidazol-5-ylsulfonyl)-7-(2-methylphenyl)-1,4-thiazepane
CID 90631518
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114335740
1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335905
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 5308672
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335947) is 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CNC1CCCN(S(=O)(=O)c2cnc[nH]2)c2ccccc21.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is IXIKRCADZGFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-15-12-6-4-8-18(13-7-3-2-5-11(12)13)21(19,20)14-9-16-10-17-14/h2-3,5,7,9-10,12,15H,4,6,8H2,1H3,(H,16,17).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 306.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).