N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide

C8H20N2O4S2 — CID 3609865

IUPACN-[4-(ethylsulfonylamino)butyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCNS(=O)(=O)CC
InChIInChI=1S/C8H20N2O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h9-10H,3-8H2,1-2H3
InChIKeyKICBABORNLFJOG-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.35
Rot. Bonds9

About N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide

N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide (PubChem CID 3609865) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)butyl]ethanesulfonamide
PubChem CID3609865
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC NameN-[4-(ethylsulfonylamino)butyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCNS(=O)(=O)CC
InChIInChI=1S/C8H20N2O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h9-10H,3-8H2,1-2H3
InChIKeyKICBABORNLFJOG-UHFFFAOYSA-N
XLogP-0.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.35
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide?
The IUPAC name of N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide (CID 3609865) is N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide is CCS(=O)(=O)NCCCCNS(=O)(=O)CC.
What is the InChIKey of N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide?
The InChIKey is KICBABORNLFJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide?
N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide has a molecular weight of 272.39 g/mol, XLogP of -0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide is sourced from PubChem (CID 3609865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).