1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane

C12H28N2O6S3 — CID 54519490

IUPAC1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane
SMILESCCCCS(=O)(=O)CCN(CCS(=O)(=O)CCCC)S(N)(=O)=O
InChIInChI=1S/C12H28N2O6S3/c1-3-5-9-21(15,16)11-7-14(23(13,19)20)8-12-22(17,18)10-6-4-2/h3-12H2,1-2H3,(H2,13,19,20)
InChIKeyHZEPONJSFAJZSU-UHFFFAOYSA-N
MW392.57 g/mol
LogP-0.08
Rot. Bonds13

About 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane

1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane (PubChem CID 54519490) has the molecular formula C12H28N2O6S3 and a molecular weight of 392.57 g/mol. Its IUPAC name is 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane.

Molecular Properties

Compound Name1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane
PubChem CID54519490
Molecular FormulaC12H28N2O6S3
Molecular Weight392.57 g/mol
Exact Mass392.11
IUPAC Name1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane
SMILESCCCCS(=O)(=O)CCN(CCS(=O)(=O)CCCC)S(N)(=O)=O
InChIInChI=1S/C12H28N2O6S3/c1-3-5-9-21(15,16)11-7-14(23(13,19)20)8-12-22(17,18)10-6-4-2/h3-12H2,1-2H3,(H2,13,19,20)
InChIKeyHZEPONJSFAJZSU-UHFFFAOYSA-N
XLogP-0.08
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane?
The IUPAC name of 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane (CID 54519490) is 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane.
What is the SMILES notation for 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane?
The canonical SMILES for 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane is CCCCS(=O)(=O)CCN(CCS(=O)(=O)CCCC)S(N)(=O)=O.
What is the InChIKey of 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane?
The InChIKey is HZEPONJSFAJZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O6S3/c1-3-5-9-21(15,16)11-7-14(23(13,19)20)8-12-22(17,18)10-6-4-2/h3-12H2,1-2H3,(H2,13,19,20).
What are the key properties of 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane?
1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane has a molecular weight of 392.57 g/mol, XLogP of -0.08, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-butylsulfonylethyl(sulfamoyl)amino]ethylsulfonyl]butane is sourced from PubChem (CID 54519490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).