N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide

C13H29NO2S — CID 18736162

IUPACN,N-dibutyl-2,2-dimethylpropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-7-2)17(15,16)12-13(3,4)5/h6-12H2,1-5H3
InChIKeyYHZFMKMWVLEOTC-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds8

About N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide

N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide (PubChem CID 18736162) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2-dimethylpropane-1-sulfonamide
PubChem CID18736162
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-dibutyl-2,2-dimethylpropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-7-2)17(15,16)12-13(3,4)5/h6-12H2,1-5H3
InChIKeyYHZFMKMWVLEOTC-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide 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,N-dibutyl-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide (CID 18736162) is N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is YHZFMKMWVLEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-7-2)17(15,16)12-13(3,4)5/h6-12H2,1-5H3.
What are the key properties of N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide?
N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 18736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).