N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine

C9H12BrN3OS — CID 139993864

IUPACN-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine
SMILESON=C(c1sccc1Br)N1CCNCC1
InChIInChI=1S/C9H12BrN3OS/c10-7-1-6-15-8(7)9(12-14)13-4-2-11-3-5-13/h1,6,11,14H,2-5H2
InChIKeyOVXMRHFSCRIUGQ-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.55
Rot. Bonds1

About N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine

N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine (PubChem CID 139993864) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine
PubChem CID139993864
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC NameN-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine
SMILESON=C(c1sccc1Br)N1CCNCC1
InChIInChI=1S/C9H12BrN3OS/c10-7-1-6-15-8(7)9(12-14)13-4-2-11-3-5-13/h1,6,11,14H,2-5H2
InChIKeyOVXMRHFSCRIUGQ-UHFFFAOYSA-N
XLogP1.55
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine (CID 139993864) is N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine is ON=C(c1sccc1Br)N1CCNCC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine?
The InChIKey is OVXMRHFSCRIUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-7-1-6-15-8(7)9(12-14)13-4-2-11-3-5-13/h1,6,11,14H,2-5H2.
What are the key properties of N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine?
N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine has a molecular weight of 290.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine is sourced from PubChem (CID 139993864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).