(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide

C9H17N3O2S — CID 78323809

IUPAC(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide
SMILESO=C(/C=N\O)NCCN1CCCSCC1
InChIInChI=1S/C9H17N3O2S/c13-9(8-11-14)10-2-4-12-3-1-6-15-7-5-12/h8,14H,1-7H2,(H,10,13)/b11-8-
InChIKeyARGOZQPAUZPZKE-FLIBITNWSA-N
MW231.32 g/mol
LogP0.00
Rot. Bonds4

About (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide

(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide (PubChem CID 78323809) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide
PubChem CID78323809
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide
SMILESO=C(/C=N\O)NCCN1CCCSCC1
InChIInChI=1S/C9H17N3O2S/c13-9(8-11-14)10-2-4-12-3-1-6-15-7-5-12/h8,14H,1-7H2,(H,10,13)/b11-8-
InChIKeyARGOZQPAUZPZKE-FLIBITNWSA-N
XLogP0.00
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide (CID 78323809) is (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide is O=C(/C=N\O)NCCN1CCCSCC1.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide?
The InChIKey is ARGOZQPAUZPZKE-FLIBITNWSA-N. The full InChI is InChI=1S/C9H17N3O2S/c13-9(8-11-14)10-2-4-12-3-1-6-15-7-5-12/h8,14H,1-7H2,(H,10,13)/b11-8-.
What are the key properties of (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide?
(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide has a molecular weight of 231.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide is sourced from PubChem (CID 78323809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).