N-(2-sulfamoylethyl)propane-1-sulfonamide

C5H14N2O4S2 — CID 61131733

IUPACN-(2-sulfamoylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-2-4-13(10,11)7-3-5-12(6,8)9/h7H,2-5H2,1H3,(H2,6,8,9)
InChIKeyXQKNJYOVVFRPOG-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.40
Rot. Bonds6

About N-(2-sulfamoylethyl)propane-1-sulfonamide

N-(2-sulfamoylethyl)propane-1-sulfonamide (PubChem CID 61131733) has the molecular formula C5H14N2O4S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)propane-1-sulfonamide
PubChem CID61131733
Molecular FormulaC5H14N2O4S2
Molecular Weight230.31 g/mol
Exact Mass230.04
IUPAC NameN-(2-sulfamoylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-2-4-13(10,11)7-3-5-12(6,8)9/h7H,2-5H2,1H3,(H2,6,8,9)
InChIKeyXQKNJYOVVFRPOG-UHFFFAOYSA-N
XLogP-1.40
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
CID 160808484
CID 160808484
methane;propane-1-sulfonamide
CID 159650684
N-octadecylpropane-1-sulfonamide
CID 88827291
CID 175918224
CID 175918224
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
2-(pentylamino)ethanesulfonamide
CID 43551719
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-sulfamoylethyl)propane-1-sulfonamide (CID 61131733) is N-(2-sulfamoylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-sulfamoylethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-sulfamoylethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of N-(2-sulfamoylethyl)propane-1-sulfonamide?
The InChIKey is XQKNJYOVVFRPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S2/c1-2-4-13(10,11)7-3-5-12(6,8)9/h7H,2-5H2,1H3,(H2,6,8,9).
What are the key properties of N-(2-sulfamoylethyl)propane-1-sulfonamide?
N-(2-sulfamoylethyl)propane-1-sulfonamide has a molecular weight of 230.31 g/mol, XLogP of -1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)propane-1-sulfonamide is sourced from PubChem (CID 61131733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).