O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine

C5H13NOS — CID 154724824

IUPACO-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine
SMILESCC(S)C(C)(C)ON
InChIInChI=1S/C5H13NOS/c1-4(8)5(2,3)7-6/h4,8H,6H2,1-3H3
InChIKeySVGASXFTDXZNFT-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.97
Rot. Bonds2

About O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine

O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine (PubChem CID 154724824) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine
PubChem CID154724824
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameO-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine
SMILESCC(S)C(C)(C)ON
InChIInChI=1S/C5H13NOS/c1-4(8)5(2,3)7-6/h4,8H,6H2,1-3H3
InChIKeySVGASXFTDXZNFT-UHFFFAOYSA-N
XLogP0.97
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600
2-sulfanylpropane-1,1,1-triol
CID 140982540
O-(3-aminooxy-2,3-dimethylbutan-2-yl)hydroxylamine
CID 121264961
5-amino-3,3,5-trimethylhexane-2-thiol
CID 123211908
2,3-dimethylbutan-2-yl carbamate
CID 20975410
3-aminobutane-2,2-dithiol
CID 145385603
3,6-dimethyl-3-propan-2-ylheptane-2-thiol
CID 174347496
1-aminoethanethiol;gold
CID 87377143
2-methylbutane-1,2,3-trithiol
CID 20568486
4-methylpentane-2,2,3,3-tetrathiol
CID 135254377
2,2-dimethyl-3-sulfanylbutanoic acid
CID 87558354
3-methyl-3-propylhexane-2-thiol
CID 123142515

Frequently Asked Questions

What is the IUPAC name of O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine?
The IUPAC name of O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine (CID 154724824) is O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine.
What is the SMILES notation for O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine?
The canonical SMILES for O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine is CC(S)C(C)(C)ON.
What is the InChIKey of O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine?
The InChIKey is SVGASXFTDXZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4(8)5(2,3)7-6/h4,8H,6H2,1-3H3.
What are the key properties of O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine?
O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine has a molecular weight of 135.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methyl-3-sulfanylbutan-2-yl)hydroxylamine is sourced from PubChem (CID 154724824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).