N,N-dibutylpentane-1-sulfonamide

C13H29NO2S — CID 14367738

IUPACN,N-dibutylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCCC)CCCC
InChIInChI=1S/C13H29NO2S/c1-4-7-10-13-17(15,16)14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3
InChIKeyIOZIAJSIXTYXLR-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.41
Rot. Bonds11

About N,N-dibutylpentane-1-sulfonamide

N,N-dibutylpentane-1-sulfonamide (PubChem CID 14367738) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dibutylpentane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutylpentane-1-sulfonamide
PubChem CID14367738
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-dibutylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCCC)CCCC
InChIInChI=1S/C13H29NO2S/c1-4-7-10-13-17(15,16)14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3
InChIKeyIOZIAJSIXTYXLR-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 5221296
CID 5221296
CID 3084219
CID 3084219
CID 199294
CID 199294
CID 10130697
CID 10130697
CID 261674
CID 261674
CID 52615
CID 52615
CID 303126
CID 303126
CID 12013370
CID 12013370
CID 303063
CID 303063
CID 303124
CID 303124
CID 70821962
CID 70821962
CID 303050
CID 303050

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylpentane-1-sulfonamide?
The IUPAC name of N,N-dibutylpentane-1-sulfonamide (CID 14367738) is N,N-dibutylpentane-1-sulfonamide.
What is the SMILES notation for N,N-dibutylpentane-1-sulfonamide?
The canonical SMILES for N,N-dibutylpentane-1-sulfonamide is CCCCCS(=O)(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylpentane-1-sulfonamide?
The InChIKey is IOZIAJSIXTYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-4-7-10-13-17(15,16)14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3.
What are the key properties of N,N-dibutylpentane-1-sulfonamide?
N,N-dibutylpentane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylpentane-1-sulfonamide is sourced from PubChem (CID 14367738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).