1-(methylsulfanylamino)oxypropane

C4H11NOS — CID 130298845

IUPAC1-(methylsulfanylamino)oxypropane
SMILESCCCONSC
InChIInChI=1S/C4H11NOS/c1-3-4-6-5-7-2/h5H,3-4H2,1-2H3
InChIKeyMIJWHVZZBOEZCQ-UHFFFAOYSA-N
MW121.20 g/mol
LogP1.20
Rot. Bonds4

About 1-(methylsulfanylamino)oxypropane

1-(methylsulfanylamino)oxypropane (PubChem CID 130298845) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 1-(methylsulfanylamino)oxypropane.

Molecular Properties

Compound Name1-(methylsulfanylamino)oxypropane
PubChem CID130298845
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name1-(methylsulfanylamino)oxypropane
SMILESCCCONSC
InChIInChI=1S/C4H11NOS/c1-3-4-6-5-7-2/h5H,3-4H2,1-2H3
InChIKeyMIJWHVZZBOEZCQ-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 51.20
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-dipropoxyhydrazine
CID 151105951
1-(iodoamino)oxypropane
CID 88548400
2-(propoxyamino)guanidine
CID 118626334
(2S)-1-(propoxyamino)butan-2-ol
CID 131167807
diethyl(methylsulfanyl)azanium
CID 173395639
N-propoxyprop-1-en-1-amine
CID 76504451
acetic acid;1-(propoxyamino)oxypropane
CID 173174006
1-[[hydrazinylmethyl(methyl)-λ3-iodanyl]amino]oxypropane
CID 163628054
methane;1-(methylsulfanylmethoxy)propane
CID 162178980
2-amino-1-propoxyguanidine
CID 130609787
1-pentoxy-N-propoxymethanamine
CID 138714447
3-azido-N-propoxypropan-1-amine
CID 126625241

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylamino)oxypropane?
The IUPAC name of 1-(methylsulfanylamino)oxypropane (CID 130298845) is 1-(methylsulfanylamino)oxypropane.
What is the SMILES notation for 1-(methylsulfanylamino)oxypropane?
The canonical SMILES for 1-(methylsulfanylamino)oxypropane is CCCONSC.
What is the InChIKey of 1-(methylsulfanylamino)oxypropane?
The InChIKey is MIJWHVZZBOEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-3-4-6-5-7-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-(methylsulfanylamino)oxypropane?
1-(methylsulfanylamino)oxypropane has a molecular weight of 121.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylamino)oxypropane is sourced from PubChem (CID 130298845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).