O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine

C10H13NOS — CID 117198266

IUPACO-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine
SMILESCc1cccc2c1CC(CON)S2
InChIInChI=1S/C10H13NOS/c1-7-3-2-4-10-9(7)5-8(13-10)6-12-11/h2-4,8H,5-6,11H2,1H3
InChIKeyGMAPJKFSNBLIDD-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.90
Rot. Bonds2

About O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine

O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine (PubChem CID 117198266) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine
PubChem CID117198266
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameO-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine
SMILESCc1cccc2c1CC(CON)S2
InChIInChI=1S/C10H13NOS/c1-7-3-2-4-10-9(7)5-8(13-10)6-12-11/h2-4,8H,5-6,11H2,1H3
InChIKeyGMAPJKFSNBLIDD-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.90
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

(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 43115259
1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117198270
2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403843
3-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117198579
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117198983
3-(4-methoxy-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117199032
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
2,3-dihydro-1-benzothiophen-2-ylmethyl 4-amino-3-methylbenzoate
CID 79229035
1-(4-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117198538
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 117198529

Frequently Asked Questions

What is the IUPAC name of O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine (CID 117198266) is O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine is Cc1cccc2c1CC(CON)S2.
What is the InChIKey of O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The InChIKey is GMAPJKFSNBLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-3-2-4-10-9(7)5-8(13-10)6-12-11/h2-4,8H,5-6,11H2,1H3.
What are the key properties of O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine?
O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine has a molecular weight of 195.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).