N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide

C7H18N2O4S2 — CID 5122508

IUPACN-[3-(ethylsulfonylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)CC
InChIInChI=1S/C7H18N2O4S2/c1-3-14(10,11)8-6-5-7-9-15(12,13)4-2/h8-9H,3-7H2,1-2H3
InChIKeyNSRFTPSURSMNPG-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.74
Rot. Bonds8

About N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide

N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide (PubChem CID 5122508) has the molecular formula C7H18N2O4S2 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)propyl]ethanesulfonamide
PubChem CID5122508
Molecular FormulaC7H18N2O4S2
Molecular Weight258.36 g/mol
Exact Mass258.07
IUPAC NameN-[3-(ethylsulfonylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)CC
InChIInChI=1S/C7H18N2O4S2/c1-3-14(10,11)8-6-5-7-9-15(12,13)4-2/h8-9H,3-7H2,1-2H3
InChIKeyNSRFTPSURSMNPG-UHFFFAOYSA-N
XLogP-0.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
N-(3-aminopropyl)-N-methylethane-1-sulfonamide
CID 28387158
N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
CID 3336314
N-[3-(methanesulfonamido)propyl]methanesulfonamide
CID 4609400
N-[2-(butylsulfonylamino)ethyl]butane-1-sulfonamide
CID 44434526
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide
CID 16654952
N-[2-(propylsulfonylamino)ethyl]propane-1-sulfonamide
CID 44434513
N-[3-(propylsulfonylamino)propyl]propane-1-sulfonamide
CID 44434514
N-[4-(propylsulfonylamino)butyl]propane-1-sulfonamide
CID 44434515
N-[4-(butylsulfonylamino)butyl]butane-1-sulfonamide
CID 44434527

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide (CID 5122508) is N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNS(=O)(=O)CC.
What is the InChIKey of N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide?
The InChIKey is NSRFTPSURSMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S2/c1-3-14(10,11)8-6-5-7-9-15(12,13)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide?
N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide has a molecular weight of 258.36 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 5122508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).