N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

C8H12BrN5O3S — CID 106466705

IUPACN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H12BrN5O3S/c1-13-8(7(9)10-12-13)18(16,17)14-4-2-6(11-15)3-5-14/h15H,2-5H2,1H3
InChIKeyPOTKSBHEQRACQB-UHFFFAOYSA-N
MW338.19 g/mol
LogP0.19
Rot. Bonds2

About N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 106466705) has the molecular formula C8H12BrN5O3S and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID106466705
Molecular FormulaC8H12BrN5O3S
Molecular Weight338.19 g/mol
Exact Mass336.98
IUPAC NameN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H12BrN5O3S/c1-13-8(7(9)10-12-13)18(16,17)14-4-2-6(11-15)3-5-14/h15H,2-5H2,1H3
InChIKeyPOTKSBHEQRACQB-UHFFFAOYSA-N
XLogP0.19
TPSA100.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468404
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carbothioamide
CID 106466551
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 106468175
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
CID 103354671
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
4-benzyl-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 86807998
(2R)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 106465832
4-bromo-5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methyltriazole
CID 106467983
2-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468408
ethyl (3S)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 106467205

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 106466705) is N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is Cn1nnc(Br)c1S(=O)(=O)N1CCC(=NO)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is POTKSBHEQRACQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5O3S/c1-13-8(7(9)10-12-13)18(16,17)14-4-2-6(11-15)3-5-14/h15H,2-5H2,1H3.
What are the key properties of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 338.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 106466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).