N,N-diethylhexane-1-sulfonamide

C10H23NO2S — CID 11253021

IUPACN,N-diethylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23NO2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h4-10H2,1-3H3
InChIKeyUVXMSSXKKQSWFF-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.24
Rot. Bonds8

About N,N-diethylhexane-1-sulfonamide

N,N-diethylhexane-1-sulfonamide (PubChem CID 11253021) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N,N-diethylhexane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethylhexane-1-sulfonamide
PubChem CID11253021
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN,N-diethylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23NO2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h4-10H2,1-3H3
InChIKeyUVXMSSXKKQSWFF-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethylhexane-1-sulfonamide?
The IUPAC name of N,N-diethylhexane-1-sulfonamide (CID 11253021) is N,N-diethylhexane-1-sulfonamide.
What is the SMILES notation for N,N-diethylhexane-1-sulfonamide?
The canonical SMILES for N,N-diethylhexane-1-sulfonamide is CCCCCCS(=O)(=O)N(CC)CC.
What is the InChIKey of N,N-diethylhexane-1-sulfonamide?
The InChIKey is UVXMSSXKKQSWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h4-10H2,1-3H3.
What are the key properties of N,N-diethylhexane-1-sulfonamide?
N,N-diethylhexane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhexane-1-sulfonamide is sourced from PubChem (CID 11253021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).