N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine

C14H14N2OS — CID 131847143

IUPACN-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1nc(SCc2ccccc2)ccc1C=NO
InChIInChI=1S/C14H14N2OS/c1-11-13(9-15-17)7-8-14(16-11)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKeyDOYGJICIZVNDHE-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.49
Rot. Bonds4

About N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine

N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131847143) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131847143
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1nc(SCc2ccccc2)ccc1C=NO
InChIInChI=1S/C14H14N2OS/c1-11-13(9-15-17)7-8-14(16-11)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKeyDOYGJICIZVNDHE-UHFFFAOYSA-N
XLogP3.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
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'}

Analyze N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]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

(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
CID 14884312
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847144
(NZ)-N-[(2-benzylsulfanylpyrimidin-4-yl)methylidene]hydroxylamine
CID 135910618
4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
CID 51064856
6-benzylsulfanyl-2-chloropyridin-3-amine
CID 177315532
2-benzylsulfanyl-3-(hydroxyiminomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 681403
4-[(E)-hydroxyiminomethyl]-3-methylbenzene-1,2-diol
CID 137269363
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-benzylsulfanyl-2-chloropyrimidine
CID 51033897
3-benzylsulfanyl-6-methoxypyridazine
CID 86259421

Frequently Asked Questions

What is the IUPAC name of N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine (CID 131847143) is N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine is Cc1nc(SCc2ccccc2)ccc1C=NO.
What is the InChIKey of N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is DOYGJICIZVNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-13(9-15-17)7-8-14(16-11)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3.
What are the key properties of N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 258.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131847143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).