(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine

C13H16N2O3S — CID 114337141

IUPAC(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
SMILESO=S(=O)(C1CC1)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-14-12-5-3-9-15(19(17,18)10-7-8-10)13-6-2-1-4-11(12)13/h1-2,4,6,10,16H,3,5,7-9H2/b14-12-
InChIKeyDYHMHPYKHIPOGV-OWBHPGMISA-N
MW280.35 g/mol
LogP1.96
Rot. Bonds2

About (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine

(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine (PubChem CID 114337141) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
PubChem CID114337141
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
SMILESO=S(=O)(C1CC1)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-14-12-5-3-9-15(19(17,18)10-7-8-10)13-6-2-1-4-11(12)13/h1-2,4,6,10,16H,3,5,7-9H2/b14-12-
InChIKeyDYHMHPYKHIPOGV-OWBHPGMISA-N
XLogP1.96
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114809011
(5Z)-5-hydroxyimino-N-methyl-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114337149
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
CID 114809006
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(oxan-4-yl)methanone
CID 114337052
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 114809007
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol
CID 77033802
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine (CID 114337141) is (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine is O=S(=O)(C1CC1)N1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine?
The InChIKey is DYHMHPYKHIPOGV-OWBHPGMISA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-14-12-5-3-9-15(19(17,18)10-7-8-10)13-6-2-1-4-11(12)13/h1-2,4,6,10,16H,3,5,7-9H2/b14-12-.
What are the key properties of (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine?
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine has a molecular weight of 280.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine is sourced from PubChem (CID 114337141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).