(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine

C5H7N3OS — CID 119081896

IUPAC(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine
SMILESO/N=C/CSc1ncc[nH]1
InChIInChI=1S/C5H7N3OS/c9-8-3-4-10-5-6-1-2-7-5/h1-3,9H,4H2,(H,6,7)/b8-3+
InChIKeyBSLNZASSEXKWLB-FPYGCLRLSA-N
MW157.20 g/mol
LogP0.96
Rot. Bonds3

About (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine

(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine (PubChem CID 119081896) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine
PubChem CID119081896
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine
SMILESO/N=C/CSc1ncc[nH]1
InChIInChI=1S/C5H7N3OS/c9-8-3-4-10-5-6-1-2-7-5/h1-3,9H,4H2,(H,6,7)/b8-3+
InChIKeyBSLNZASSEXKWLB-FPYGCLRLSA-N
XLogP0.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.96
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

2-(1H-imidazol-2-ylsulfanyl)acetaldehyde
CID 57033997
2-prop-2-ynylsulfanyl-1H-imidazole
CID 55287581
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
CID 107780486
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
N-(cyclopropylmethyl)-2-(1H-imidazol-2-ylsulfanyl)ethanamine
CID 107782466
2-(1H-imidazol-2-ylsulfanylmethyl)prop-2-enoic acid
CID 107778961
2-nitrososulfanyl-1H-imidazole
CID 55298693
2-chloro-3-(1H-imidazol-2-ylsulfanyl)propanoic acid
CID 107782758
5-(1H-imidazol-2-ylsulfanyl)pentanoic acid
CID 107778975

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine (CID 119081896) is (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine is O/N=C/CSc1ncc[nH]1.
What is the InChIKey of (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine?
The InChIKey is BSLNZASSEXKWLB-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H7N3OS/c9-8-3-4-10-5-6-1-2-7-5/h1-3,9H,4H2,(H,6,7)/b8-3+.
What are the key properties of (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine?
(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine has a molecular weight of 157.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine is sourced from PubChem (CID 119081896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).