N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide

C6H15NO4S2 — CID 57318294

IUPACN-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide
SMILESCCC=S(=O)(O)NS(=O)(=O)CCC
InChIInChI=1S/C6H15NO4S2/c1-3-5-12(8,9)7-13(10,11)6-4-2/h5H,3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyZPXSHPIFJTUPHD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.20
Rot. Bonds5

About N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide

N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide (PubChem CID 57318294) has the molecular formula C6H15NO4S2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide
PubChem CID57318294
Molecular FormulaC6H15NO4S2
Molecular Weight229.32 g/mol
Exact Mass229.04
IUPAC NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide
SMILESCCC=S(=O)(O)NS(=O)(=O)CCC
InChIInChI=1S/C6H15NO4S2/c1-3-5-12(8,9)7-13(10,11)6-4-2/h5H,3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyZPXSHPIFJTUPHD-UHFFFAOYSA-N
XLogP0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine
CID 56635457
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
hydroxy-oxo-propyl-tellanylidene-λ6-sulfane
CID 139949635
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
hydrazine;propane-1-sulfonic acid
CID 159325511
N-(3-methylbut-2-enyl)propane-1-sulfonamide
CID 103526911
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
butylidene-hydroxy-oxo-propan-2-yl-λ6-sulfane
CID 57100343
N-octadecylpropane-1-sulfonamide
CID 88827291
1-propylsulfonylpropane
CID 11709

Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide?
The IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide (CID 57318294) is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide.
What is the SMILES notation for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide?
The canonical SMILES for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide is CCC=S(=O)(O)NS(=O)(=O)CCC.
What is the InChIKey of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide?
The InChIKey is ZPXSHPIFJTUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S2/c1-3-5-12(8,9)7-13(10,11)6-4-2/h5H,3-4,6H2,1-2H3,(H2,7,8,9).
What are the key properties of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide?
N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide has a molecular weight of 229.32 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide is sourced from PubChem (CID 57318294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).