O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine

C11H15NOS — CID 117299468

IUPACO-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C11H15NOS/c12-13-8-7-9-1-3-10(4-2-9)14-11-5-6-11/h1-4,11H,5-8,12H2
InChIKeyAZHJGPQAGQBUKI-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.37
Rot. Bonds5

About O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine

O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine (PubChem CID 117299468) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine
PubChem CID117299468
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameO-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C11H15NOS/c12-13-8-7-9-1-3-10(4-2-9)14-11-5-6-11/h1-4,11H,5-8,12H2
InChIKeyAZHJGPQAGQBUKI-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573468
1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
CID 117386767
O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
CID 117441210
2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol
CID 117300715
1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine
CID 143703750
1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride
CID 67939384
3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573036
O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine
CID 117296388
2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid
CID 117347501
1-butyl-4-(4-phenylsulfanylcyclohexyl)benzene;pentahydrofluoride
CID 67939353

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine (CID 117299468) is O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine is NOCCc1ccc(SC2CC2)cc1.
What is the InChIKey of O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine?
The InChIKey is AZHJGPQAGQBUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-13-8-7-9-1-3-10(4-2-9)14-11-5-6-11/h1-4,11H,5-8,12H2.
What are the key properties of O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine?
O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine has a molecular weight of 209.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117299468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).