1-(2-aminoethoxy)-3-(sulfinoamino)propane

C5H14N2O3S — CID 146230326

IUPAC1-(2-aminoethoxy)-3-(sulfinoamino)propane
SMILESNCCOCCCNS(=O)O
InChIInChI=1S/C5H14N2O3S/c6-2-5-10-4-1-3-7-11(8)9/h7H,1-6H2,(H,8,9)
InChIKeyGOTLZXAMHAGEHS-UHFFFAOYSA-N
MW182.24 g/mol
LogP-0.92
Rot. Bonds7

About 1-(2-aminoethoxy)-3-(sulfinoamino)propane

1-(2-aminoethoxy)-3-(sulfinoamino)propane (PubChem CID 146230326) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(sulfinoamino)propane.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(sulfinoamino)propane
PubChem CID146230326
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name1-(2-aminoethoxy)-3-(sulfinoamino)propane
SMILESNCCOCCCNS(=O)O
InChIInChI=1S/C5H14N2O3S/c6-2-5-10-4-1-3-7-11(8)9/h7H,1-6H2,(H,8,9)
InChIKeyGOTLZXAMHAGEHS-UHFFFAOYSA-N
XLogP-0.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
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-(3-methoxypropoxy)-3-(sulfinoamino)propane
CID 23002745
1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
1-aminooxy-2-(sulfinoamino)ethane
CID 163917015
1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
CID 167001842
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(sulfinoamino)propane?
The IUPAC name of 1-(2-aminoethoxy)-3-(sulfinoamino)propane (CID 146230326) is 1-(2-aminoethoxy)-3-(sulfinoamino)propane.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(sulfinoamino)propane?
The canonical SMILES for 1-(2-aminoethoxy)-3-(sulfinoamino)propane is NCCOCCCNS(=O)O.
What is the InChIKey of 1-(2-aminoethoxy)-3-(sulfinoamino)propane?
The InChIKey is GOTLZXAMHAGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c6-2-5-10-4-1-3-7-11(8)9/h7H,1-6H2,(H,8,9).
What are the key properties of 1-(2-aminoethoxy)-3-(sulfinoamino)propane?
1-(2-aminoethoxy)-3-(sulfinoamino)propane has a molecular weight of 182.24 g/mol, XLogP of -0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-(sulfinoamino)propane is sourced from PubChem (CID 146230326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).