N,N-di(butan-2-yl)propane-2-sulfonamide

C11H25NO2S — CID 59532438

IUPACN,N-di(butan-2-yl)propane-2-sulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-7-10(5)12(11(6)8-2)15(13,14)9(3)4/h9-11H,7-8H2,1-6H3
InChIKeyIGMMVUPFCHUZAN-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.62
Rot. Bonds6

About N,N-di(butan-2-yl)propane-2-sulfonamide

N,N-di(butan-2-yl)propane-2-sulfonamide (PubChem CID 59532438) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,N-di(butan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)propane-2-sulfonamide
PubChem CID59532438
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,N-di(butan-2-yl)propane-2-sulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-7-10(5)12(11(6)8-2)15(13,14)9(3)4/h9-11H,7-8H2,1-6H3
InChIKeyIGMMVUPFCHUZAN-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-di(butan-2-yl)propane-2-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-di(butan-2-yl)propane-2-sulfonamide?
The IUPAC name of N,N-di(butan-2-yl)propane-2-sulfonamide (CID 59532438) is N,N-di(butan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N,N-di(butan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N,N-di(butan-2-yl)propane-2-sulfonamide is CCC(C)N(C(C)CC)S(=O)(=O)C(C)C.
What is the InChIKey of N,N-di(butan-2-yl)propane-2-sulfonamide?
The InChIKey is IGMMVUPFCHUZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-7-10(5)12(11(6)8-2)15(13,14)9(3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of N,N-di(butan-2-yl)propane-2-sulfonamide?
N,N-di(butan-2-yl)propane-2-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 59532438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).