N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine

C11H13NOS — CID 82684826

IUPACN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
SMILESCc1c(C(C)NO)sc2ccccc12
InChIInChI=1S/C11H13NOS/c1-7-9-5-3-4-6-10(9)14-11(7)8(2)12-13/h3-6,8,12-13H,1-2H3
InChIKeyHNGVPCDZKRCIAB-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.25
Rot. Bonds2

About N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine

N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine (PubChem CID 82684826) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
PubChem CID82684826
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
SMILESCc1c(C(C)NO)sc2ccccc12
InChIInChI=1S/C11H13NOS/c1-7-9-5-3-4-6-10(9)14-11(7)8(2)12-13/h3-6,8,12-13H,1-2H3
InChIKeyHNGVPCDZKRCIAB-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.25
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-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine (CID 82684826) is N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine is Cc1c(C(C)NO)sc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The InChIKey is HNGVPCDZKRCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-9-5-3-4-6-10(9)14-11(7)8(2)12-13/h3-6,8,12-13H,1-2H3.
What are the key properties of N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine?
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine has a molecular weight of 207.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 82684826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).