N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine

C10H13NOS — CID 75082432

IUPACN-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine
SMILESCSc1ccc(CC(C)=NO)cc1
InChIInChI=1S/C10H13NOS/c1-8(11-12)7-9-3-5-10(13-2)6-4-9/h3-6,12H,7H2,1-2H3
InChIKeyCGGJUVDVYNFDKQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine

N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 75082432) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine
PubChem CID75082432
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine
SMILESCSc1ccc(CC(C)=NO)cc1
InChIInChI=1S/C10H13NOS/c1-8(11-12)7-9-3-5-10(13-2)6-4-9/h3-6,12H,7H2,1-2H3
InChIKeyCGGJUVDVYNFDKQ-UHFFFAOYSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
CID 74031282
N-[1-(4-methylsulfonylphenyl)propan-2-ylidene]hydroxylamine
CID 175084201
[N-hydroxy-C-[(4-methylsulfanylphenyl)methyl]carbonimidoyl] 2-acetyloxyacetate
CID 87225806
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-ethyl-4-methylsulfanylbenzene
CID 142218139
ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
1-(4-methylsulfanylphenyl)pentan-2-one
CID 91656008
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-methylsulfanylphenyl)methanethiol
CID 14625012

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine (CID 75082432) is N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine is CSc1ccc(CC(C)=NO)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is CGGJUVDVYNFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(11-12)7-9-3-5-10(13-2)6-4-9/h3-6,12H,7H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine?
N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 195.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 75082432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).