1-propoxy-2-(sulfinatoamino)propane

C6H14NO3S- — CID 57419774

IUPAC1-propoxy-2-(sulfinatoamino)propane
SMILESCCCOCC(C)NS(=O)[O-]
InChIInChI=1S/C6H15NO3S/c1-3-4-10-5-6(2)7-11(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyGERQQRRWUBAPDZ-UHFFFAOYSA-M
MW180.25 g/mol
LogP0.19
Rot. Bonds6

About 1-propoxy-2-(sulfinatoamino)propane

1-propoxy-2-(sulfinatoamino)propane (PubChem CID 57419774) has the molecular formula C6H14NO3S- and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-propoxy-2-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-propoxy-2-(sulfinatoamino)propane
PubChem CID57419774
Molecular FormulaC6H14NO3S-
Molecular Weight180.25 g/mol
Exact Mass180.07
IUPAC Name1-propoxy-2-(sulfinatoamino)propane
SMILESCCCOCC(C)NS(=O)[O-]
InChIInChI=1S/C6H15NO3S/c1-3-4-10-5-6(2)7-11(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyGERQQRRWUBAPDZ-UHFFFAOYSA-M
XLogP0.19
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
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-Dimethoxypropan-2-amine
CID 1514160
(2~{R})-1-(2-methoxyethoxy)propan-2-amine
CID 28154429
(2~{S})-1-(2-methoxyethoxy)propan-2-amine
CID 28154431
1-(2-Aminopropoxy)-2-methoxyethane
CID 43184365
(2S)-1-ethoxypropan-2-amine
CID 28305705
Methyl 1,5-diamino-3-oxa-pentane
CID 58971304
1-Ethoxypropan-2-amine
CID 16788417
Sulfamic acid, (1-methylethyl)-, ethyl ester
CID 153781
1-Ethoxy-3-(sulfinatoamino)propane
CID 18938599
(1-Methoxypropan-2-yl)sulfamic acid
CID 20316522
Actinium;1-propoxypropan-2-ylazanide
CID 20760020
1-Propoxypropan-2-amine
CID 20760021

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-2-(sulfinatoamino)propane?
The IUPAC name of 1-propoxy-2-(sulfinatoamino)propane (CID 57419774) is 1-propoxy-2-(sulfinatoamino)propane.
What is the SMILES notation for 1-propoxy-2-(sulfinatoamino)propane?
The canonical SMILES for 1-propoxy-2-(sulfinatoamino)propane is CCCOCC(C)NS(=O)[O-].
What is the InChIKey of 1-propoxy-2-(sulfinatoamino)propane?
The InChIKey is GERQQRRWUBAPDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3S/c1-3-4-10-5-6(2)7-11(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-propoxy-2-(sulfinatoamino)propane?
1-propoxy-2-(sulfinatoamino)propane has a molecular weight of 180.25 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-2-(sulfinatoamino)propane is sourced from PubChem (CID 57419774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).