1-(3-methoxypropoxy)-3-(sulfinoamino)propane

C7H17NO4S — CID 23002745

IUPAC1-(3-methoxypropoxy)-3-(sulfinoamino)propane
SMILESCOCCCOCCCNS(=O)O
InChIInChI=1S/C7H17NO4S/c1-11-5-3-7-12-6-2-4-8-13(9)10/h8H,2-7H2,1H3,(H,9,10)
InChIKeyYKEDWBIRAAJFIM-UHFFFAOYSA-N
MW211.28 g/mol
LogP0.16
Rot. Bonds9

About 1-(3-methoxypropoxy)-3-(sulfinoamino)propane

1-(3-methoxypropoxy)-3-(sulfinoamino)propane (PubChem CID 23002745) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-3-(sulfinoamino)propane.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-3-(sulfinoamino)propane
PubChem CID23002745
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC Name1-(3-methoxypropoxy)-3-(sulfinoamino)propane
SMILESCOCCCOCCCNS(=O)O
InChIInChI=1S/C7H17NO4S/c1-11-5-3-7-12-6-2-4-8-13(9)10/h8H,2-7H2,1H3,(H,9,10)
InChIKeyYKEDWBIRAAJFIM-UHFFFAOYSA-N
XLogP0.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethoxy)-3-(sulfinoamino)propane
CID 146230326
1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
CID 167001842
N'-[2-(2-hydroxyethoxy)ethyl]-N-(3-methoxypropyl)oxamide
CID 108506395
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
4-(3-methoxypropoxy)butanoic acid
CID 60918159

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-3-(sulfinoamino)propane?
The IUPAC name of 1-(3-methoxypropoxy)-3-(sulfinoamino)propane (CID 23002745) is 1-(3-methoxypropoxy)-3-(sulfinoamino)propane.
What is the SMILES notation for 1-(3-methoxypropoxy)-3-(sulfinoamino)propane?
The canonical SMILES for 1-(3-methoxypropoxy)-3-(sulfinoamino)propane is COCCCOCCCNS(=O)O.
What is the InChIKey of 1-(3-methoxypropoxy)-3-(sulfinoamino)propane?
The InChIKey is YKEDWBIRAAJFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-11-5-3-7-12-6-2-4-8-13(9)10/h8H,2-7H2,1H3,(H,9,10).
What are the key properties of 1-(3-methoxypropoxy)-3-(sulfinoamino)propane?
1-(3-methoxypropoxy)-3-(sulfinoamino)propane has a molecular weight of 211.28 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-3-(sulfinoamino)propane is sourced from PubChem (CID 23002745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).