N-butyl-N-(diethylsulfamoyl)butan-1-amine

C12H28N2O2S — CID 127504863

IUPACN-butyl-N-(diethylsulfamoyl)butan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H28N2O2S/c1-5-9-11-14(12-10-6-2)17(15,16)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyHGJXCCCQULWUNT-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.48
Rot. Bonds10

About N-butyl-N-(diethylsulfamoyl)butan-1-amine

N-butyl-N-(diethylsulfamoyl)butan-1-amine (PubChem CID 127504863) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-butyl-N-(diethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(diethylsulfamoyl)butan-1-amine
PubChem CID127504863
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-butyl-N-(diethylsulfamoyl)butan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H28N2O2S/c1-5-9-11-14(12-10-6-2)17(15,16)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyHGJXCCCQULWUNT-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-(diethylsulfamoyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(diethylsulfamoyl)butan-1-amine?
The IUPAC name of N-butyl-N-(diethylsulfamoyl)butan-1-amine (CID 127504863) is N-butyl-N-(diethylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(diethylsulfamoyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(diethylsulfamoyl)butan-1-amine is CCCCN(CCCC)S(=O)(=O)N(CC)CC.
What is the InChIKey of N-butyl-N-(diethylsulfamoyl)butan-1-amine?
The InChIKey is HGJXCCCQULWUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-9-11-14(12-10-6-2)17(15,16)13(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of N-butyl-N-(diethylsulfamoyl)butan-1-amine?
N-butyl-N-(diethylsulfamoyl)butan-1-amine has a molecular weight of 264.43 g/mol, XLogP of 2.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(diethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 127504863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).