2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane

C5H15N3O3S — CID 114959448

IUPAC2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(O)CNCCNS(N)(=O)=O
InChIInChI=1S/C5H15N3O3S/c1-5(9)4-7-2-3-8-12(6,10)11/h5,7-9H,2-4H2,1H3,(H2,6,10,11)
InChIKeyLVLYWBGAXIHSLS-UHFFFAOYSA-N
MW197.26 g/mol
LogP-2.25
Rot. Bonds6

About 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane

2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane (PubChem CID 114959448) has the molecular formula C5H15N3O3S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane.

Molecular Properties

Compound Name2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
PubChem CID114959448
Molecular FormulaC5H15N3O3S
Molecular Weight197.26 g/mol
Exact Mass197.08
IUPAC Name2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(O)CNCCNS(N)(=O)=O
InChIInChI=1S/C5H15N3O3S/c1-5(9)4-7-2-3-8-12(6,10)11/h5,7-9H,2-4H2,1H3,(H2,6,10,11)
InChIKeyLVLYWBGAXIHSLS-UHFFFAOYSA-N
XLogP-2.25
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
N-[2-(2-hydroxypropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 104594085
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane?
The IUPAC name of 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane (CID 114959448) is 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane.
What is the SMILES notation for 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane?
The canonical SMILES for 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane is CC(O)CNCCNS(N)(=O)=O.
What is the InChIKey of 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane?
The InChIKey is LVLYWBGAXIHSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O3S/c1-5(9)4-7-2-3-8-12(6,10)11/h5,7-9H,2-4H2,1H3,(H2,6,10,11).
What are the key properties of 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane?
2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane has a molecular weight of 197.26 g/mol, XLogP of -2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane is sourced from PubChem (CID 114959448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).