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

C11H17NOS — CID 44613190

IUPACN-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
SMILESCSc1ccc(CC(C)N(C)O)cc1
InChIInChI=1S/C11H17NOS/c1-9(12(2)13)8-10-4-6-11(14-3)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeySQRQFCPZJCFFPA-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.66
Rot. Bonds4

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

N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine (PubChem CID 44613190) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
PubChem CID44613190
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
SMILESCSc1ccc(CC(C)N(C)O)cc1
InChIInChI=1S/C11H17NOS/c1-9(12(2)13)8-10-4-6-11(14-3)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeySQRQFCPZJCFFPA-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]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

ethyl 2-methyl-3-(4-methylsulfanylphenyl)propanoate
CID 141007398
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 69223599
1-ethyl-4-methylsulfanylbenzene
CID 142218139
3-[methyl-[1-(4-methylsulfanylphenyl)butan-2-yl]amino]propanoic acid
CID 84751593
2-[(4-methylsulfanylphenyl)methyl]-3-oxobutanoic acid
CID 172849311
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 170194633
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
2-bromo-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 43346484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine?
The IUPAC name of N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine (CID 44613190) is N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine is CSc1ccc(CC(C)N(C)O)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine?
The InChIKey is SQRQFCPZJCFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(12(2)13)8-10-4-6-11(14-3)7-5-10/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine?
N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine has a molecular weight of 211.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 44613190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).