N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine

C10H13NOS — CID 117285695

IUPACN-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(C2CSC2)c1
InChIInChI=1S/C10H13NOS/c12-11-5-8-2-1-3-9(4-8)10-6-13-7-10/h1-4,10-12H,5-7H2
InChIKeyCXEJMZQPYKHLAE-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.00
Rot. Bonds3

About N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine

N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine (PubChem CID 117285695) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine
PubChem CID117285695
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(C2CSC2)c1
InChIInChI=1S/C10H13NOS/c12-11-5-8-2-1-3-9(4-8)10-6-13-7-10/h1-4,10-12H,5-7H2
InChIKeyCXEJMZQPYKHLAE-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.00
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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Related Compounds

2-[3-(thietan-3-yl)phenyl]ethanamine
CID 83830582
3-[3-(isocyanatomethyl)phenyl]thietane
CID 117293755
2-[3-(thiolan-3-yl)phenyl]ethanol
CID 84780337
3-amino-1-[3-(thietan-3-yl)phenyl]propan-1-one
CID 117316972
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
3-(3-isocyanatophenyl)thietane
CID 83915515
(3-cycloheptylphenyl)methanol
CID 84672634

Frequently Asked Questions

What is the IUPAC name of N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine (CID 117285695) is N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine is ONCc1cccc(C2CSC2)c1.
What is the InChIKey of N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine?
The InChIKey is CXEJMZQPYKHLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-11-5-8-2-1-3-9(4-8)10-6-13-7-10/h1-4,10-12H,5-7H2.
What are the key properties of N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine?
N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine has a molecular weight of 195.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117285695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).