1-[1-(sulfinoamino)ethoxy]propane

C5H13NO3S — CID 130220173

IUPAC1-[1-(sulfinoamino)ethoxy]propane
SMILESCCCOC(C)NS(=O)O
InChIInChI=1S/C5H13NO3S/c1-3-4-9-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyXJHAJUPWQCMSAX-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.49
Rot. Bonds5

About 1-[1-(sulfinoamino)ethoxy]propane

1-[1-(sulfinoamino)ethoxy]propane (PubChem CID 130220173) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-[1-(sulfinoamino)ethoxy]propane.

Molecular Properties

Compound Name1-[1-(sulfinoamino)ethoxy]propane
PubChem CID130220173
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name1-[1-(sulfinoamino)ethoxy]propane
SMILESCCCOC(C)NS(=O)O
InChIInChI=1S/C5H13NO3S/c1-3-4-9-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyXJHAJUPWQCMSAX-UHFFFAOYSA-N
XLogP0.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-[1-(sulfinoamino)ethoxy]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(sulfinoamino)pentane
CID 57324633
1-(1-propoxyethylamino)propan-1-ol
CID 174540244
1,3-dimethoxy-2-(sulfinoamino)propane
CID 57419763
2-(sulfinoamino)decane
CID 57421744
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1-O-methyl 4-O-(1-propoxyethyl) but-2-enedioate
CID 54282781
magnesium;hydride;1-propoxyethanol
CID 174529104
1-oxo-2-(sulfinoamino)propane
CID 57134062
1-ethoxyethyl 1-propoxyethyl hydrogen phosphate
CID 126505914
N-(1-propoxyethyl)aniline
CID 173276827
2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588

Frequently Asked Questions

What is the IUPAC name of 1-[1-(sulfinoamino)ethoxy]propane?
The IUPAC name of 1-[1-(sulfinoamino)ethoxy]propane (CID 130220173) is 1-[1-(sulfinoamino)ethoxy]propane.
What is the SMILES notation for 1-[1-(sulfinoamino)ethoxy]propane?
The canonical SMILES for 1-[1-(sulfinoamino)ethoxy]propane is CCCOC(C)NS(=O)O.
What is the InChIKey of 1-[1-(sulfinoamino)ethoxy]propane?
The InChIKey is XJHAJUPWQCMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-4-9-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 1-[1-(sulfinoamino)ethoxy]propane?
1-[1-(sulfinoamino)ethoxy]propane has a molecular weight of 167.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(sulfinoamino)ethoxy]propane is sourced from PubChem (CID 130220173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).