N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine

C8H13N3O2S — CID 146416991

IUPACN-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine
SMILESCC(C)Oc1cncc(N(O)SN)c1
InChIInChI=1S/C8H13N3O2S/c1-6(2)13-8-3-7(4-10-5-8)11(12)14-9/h3-6,12H,9H2,1-2H3
InChIKeyLUFQCQANOOXLME-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.59
Rot. Bonds4

About N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine

N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine (PubChem CID 146416991) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine.

Molecular Properties

Compound NameN-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine
PubChem CID146416991
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine
SMILESCC(C)Oc1cncc(N(O)SN)c1
InChIInChI=1S/C8H13N3O2S/c1-6(2)13-8-3-7(4-10-5-8)11(12)14-9/h3-6,12H,9H2,1-2H3
InChIKeyLUFQCQANOOXLME-UHFFFAOYSA-N
XLogP1.59
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide
CID 83878395
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
[2,2-dimethoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105246133
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357

Frequently Asked Questions

What is the IUPAC name of N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine?
The IUPAC name of N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine (CID 146416991) is N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine.
What is the SMILES notation for N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine?
The canonical SMILES for N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine is CC(C)Oc1cncc(N(O)SN)c1.
What is the InChIKey of N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine?
The InChIKey is LUFQCQANOOXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(2)13-8-3-7(4-10-5-8)11(12)14-9/h3-6,12H,9H2,1-2H3.
What are the key properties of N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine?
N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine has a molecular weight of 215.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine is sourced from PubChem (CID 146416991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).