3,3-diethylpentane-1-sulfonamide

C9H21NO2S — CID 154281864

IUPAC3,3-diethylpentane-1-sulfonamide
SMILESCCC(CC)(CC)CCS(N)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyLFBWCZBDKKBDPG-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.88
Rot. Bonds6

About 3,3-diethylpentane-1-sulfonamide

3,3-diethylpentane-1-sulfonamide (PubChem CID 154281864) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3,3-diethylpentane-1-sulfonamide.

Molecular Properties

Compound Name3,3-diethylpentane-1-sulfonamide
PubChem CID154281864
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3,3-diethylpentane-1-sulfonamide
SMILESCCC(CC)(CC)CCS(N)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyLFBWCZBDKKBDPG-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
CID 10727803
5,5-diethylnonane-1-sulfonamide
CID 57243895
azane;3,3-diethylpentane-1-sulfonic acid
CID 175325645
CID 160808484
CID 160808484
methane;propane-1-sulfonamide
CID 159650684
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
3,3-bis(chloromethyl)-1-methylsulfonylpentane
CID 79447234
3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide
CID 18954722
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
3,3-bis(bromomethyl)-1-propylsulfonylpentane
CID 106734917
4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpentane-1-sulfonamide?
The IUPAC name of 3,3-diethylpentane-1-sulfonamide (CID 154281864) is 3,3-diethylpentane-1-sulfonamide.
What is the SMILES notation for 3,3-diethylpentane-1-sulfonamide?
The canonical SMILES for 3,3-diethylpentane-1-sulfonamide is CCC(CC)(CC)CCS(N)(=O)=O.
What is the InChIKey of 3,3-diethylpentane-1-sulfonamide?
The InChIKey is LFBWCZBDKKBDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3,(H2,10,11,12).
What are the key properties of 3,3-diethylpentane-1-sulfonamide?
3,3-diethylpentane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpentane-1-sulfonamide is sourced from PubChem (CID 154281864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).