N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine

C14H18N2OS — CID 59114747

IUPACN-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1/N=C1\CCSC(C)C1
InChIInChI=1S/C14H18N2OS/c1-10-9-12(7-8-18-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?
InChIKeyHUHUARQRXRXGEY-ANRJPOMSSA-N
MW262.38 g/mol
LogP3.87
Rot. Bonds2

About N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine

N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine (PubChem CID 59114747) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine
PubChem CID59114747
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1/N=C1\CCSC(C)C1
InChIInChI=1S/C14H18N2OS/c1-10-9-12(7-8-18-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?
InChIKeyHUHUARQRXRXGEY-ANRJPOMSSA-N
XLogP3.87
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.87
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine (CID 59114747) is N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccccc1/N=C1\CCSC(C)C1.
What is the InChIKey of N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine?
The InChIKey is HUHUARQRXRXGEY-ANRJPOMSSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-9-12(7-8-18-10)15-14-6-4-3-5-13(14)11(2)16-17/h3-6,10,17H,7-9H2,1-2H3/b15-12+,16-11?.
What are the key properties of N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine?
N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine has a molecular weight of 262.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-methylthian-4-ylidene)amino]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 59114747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).