N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine

C17H17NOS — CID 10731711

IUPACN-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine
SMILESONCC1=Cc2cc(Sc3ccccc3)ccc2CC1
InChIInChI=1S/C17H17NOS/c19-18-12-13-6-7-14-8-9-17(11-15(14)10-13)20-16-4-2-1-3-5-16/h1-5,8-11,18-19H,6-7,12H2
InChIKeyGIUHXBMKPGMVGO-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds4

About N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine

N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine (PubChem CID 10731711) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine
PubChem CID10731711
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine
SMILESONCC1=Cc2cc(Sc3ccccc3)ccc2CC1
InChIInChI=1S/C17H17NOS/c19-18-12-13-6-7-14-8-9-17(11-15(14)10-13)20-16-4-2-1-3-5-16/h1-5,8-11,18-19H,6-7,12H2
InChIKeyGIUHXBMKPGMVGO-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine (CID 10731711) is N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine is ONCC1=Cc2cc(Sc3ccccc3)ccc2CC1.
What is the InChIKey of N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine?
The InChIKey is GIUHXBMKPGMVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-18-12-13-6-7-14-8-9-17(11-15(14)10-13)20-16-4-2-1-3-5-16/h1-5,8-11,18-19H,6-7,12H2.
What are the key properties of N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine?
N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine has a molecular weight of 283.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-phenylsulfanyl-3,4-dihydronaphthalen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 10731711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).