O-(3-propan-2-ylsulfinylpropyl)hydroxylamine

C6H15NO2S — CID 130877889

IUPACO-(3-propan-2-ylsulfinylpropyl)hydroxylamine
SMILESCC(C)S(=O)CCCON
InChIInChI=1S/C6H15NO2S/c1-6(2)10(8)5-3-4-9-7/h6H,3-5,7H2,1-2H3
InChIKeyAOSYFDYPJAENBU-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.42
Rot. Bonds5

About O-(3-propan-2-ylsulfinylpropyl)hydroxylamine

O-(3-propan-2-ylsulfinylpropyl)hydroxylamine (PubChem CID 130877889) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is O-(3-propan-2-ylsulfinylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-propan-2-ylsulfinylpropyl)hydroxylamine
PubChem CID130877889
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameO-(3-propan-2-ylsulfinylpropyl)hydroxylamine
SMILESCC(C)S(=O)CCCON
InChIInChI=1S/C6H15NO2S/c1-6(2)10(8)5-3-4-9-7/h6H,3-5,7H2,1-2H3
InChIKeyAOSYFDYPJAENBU-UHFFFAOYSA-N
XLogP0.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
CID 102006897
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
2-(2-chloroethylsulfinyl)propane
CID 55302794
3-propan-2-ylsulfinyl-N-propylpropan-1-amine
CID 64654588
N,N-dimethyl-2-propan-2-ylsulfinylethanamine
CID 123112524
2-(3-methoxypropylsulfinyl)-N-methylpentan-3-amine
CID 64658222
N-(3-aminopropyl)-N-methyl-3-propan-2-ylsulfinylpropanamide
CID 81329073
tert-butyl 2-(3-methoxypropylsulfinyl)propanoate
CID 66337243
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
ethyl 2-(3-methoxypropylsulfinyl)pentanoate
CID 83049773
O-[3-(propan-2-ylamino)propyl]hydroxylamine
CID 143003444

Frequently Asked Questions

What is the IUPAC name of O-(3-propan-2-ylsulfinylpropyl)hydroxylamine?
The IUPAC name of O-(3-propan-2-ylsulfinylpropyl)hydroxylamine (CID 130877889) is O-(3-propan-2-ylsulfinylpropyl)hydroxylamine.
What is the SMILES notation for O-(3-propan-2-ylsulfinylpropyl)hydroxylamine?
The canonical SMILES for O-(3-propan-2-ylsulfinylpropyl)hydroxylamine is CC(C)S(=O)CCCON.
What is the InChIKey of O-(3-propan-2-ylsulfinylpropyl)hydroxylamine?
The InChIKey is AOSYFDYPJAENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2)10(8)5-3-4-9-7/h6H,3-5,7H2,1-2H3.
What are the key properties of O-(3-propan-2-ylsulfinylpropyl)hydroxylamine?
O-(3-propan-2-ylsulfinylpropyl)hydroxylamine has a molecular weight of 165.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-propan-2-ylsulfinylpropyl)hydroxylamine is sourced from PubChem (CID 130877889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).