(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine

C15H19N3OS — CID 40543877

IUPAC(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCC[C@@H]1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3OS/c19-18-13-9-3-1-2-4-10-14(13)20-15-16-11-7-5-6-8-12(11)17-15/h5-8,14,19H,1-4,9-10H2,(H,16,17)/b18-13-/t14-/m0/s1
InChIKeyMNGFJZQJDRCHMO-RVAQLADHSA-N
MW289.40 g/mol
LogP4.21
Rot. Bonds2

About (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine

(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine (PubChem CID 40543877) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
PubChem CID40543877
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCC[C@@H]1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3OS/c19-18-13-9-3-1-2-4-10-14(13)20-15-16-11-7-5-6-8-12(11)17-15/h5-8,14,19H,1-4,9-10H2,(H,16,17)/b18-13-/t14-/m0/s1
InChIKeyMNGFJZQJDRCHMO-RVAQLADHSA-N
XLogP4.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
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

(NE)-N-[2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 6264734
(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 18530213
3-(1H-benzimidazol-2-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42652894
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
CID 113341185
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentylidene]hydroxylamine
CID 4125591
3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
CID 2897324
(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
CID 125470084
N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
CID 4196767
2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621497
(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
CID 98156144
2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
CID 680651

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine (CID 40543877) is (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine is O/N=C1/CCCCCC[C@@H]1Sc1nc2ccccc2[nH]1.
What is the InChIKey of (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine?
The InChIKey is MNGFJZQJDRCHMO-RVAQLADHSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-18-13-9-3-1-2-4-10-14(13)20-15-16-11-7-5-6-8-12(11)17-15/h5-8,14,19H,1-4,9-10H2,(H,16,17)/b18-13-/t14-/m0/s1.
What are the key properties of (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine?
(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine has a molecular weight of 289.40 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine is sourced from PubChem (CID 40543877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).