9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide

C14H31NO4S — CID 103491019

IUPAC9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide
SMILESCCOCC(C)OCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-3-18-13-14(2)19-11-9-7-5-4-6-8-10-12-20(15,16)17/h14H,3-13H2,1-2H3,(H2,15,16,17)
InChIKeyQCVMOHHXJNUWEN-UHFFFAOYSA-N
MW309.47 g/mol
LogP2.45
Rot. Bonds14

About 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide

9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide (PubChem CID 103491019) has the molecular formula C14H31NO4S and a molecular weight of 309.47 g/mol. Its IUPAC name is 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide.

Molecular Properties

Compound Name9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide
PubChem CID103491019
Molecular FormulaC14H31NO4S
Molecular Weight309.47 g/mol
Exact Mass309.20
IUPAC Name9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide
SMILESCCOCC(C)OCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-3-18-13-14(2)19-11-9-7-5-4-6-8-10-12-20(15,16)17/h14H,3-13H2,1-2H3,(H2,15,16,17)
InChIKeyQCVMOHHXJNUWEN-UHFFFAOYSA-N
XLogP2.45
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide
CID 103491006
9-propoxynonane-1-sulfonamide
CID 105343921
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
1-(2-hexoxypropoxy)hexane
CID 71353992
(2R)-1,2-diethoxypropane
CID 92973991
2-(1-ethoxypropan-2-yloxy)ethanethiol
CID 103491367
2-(2-chloroethoxy)-1-ethoxypropane
CID 103487889
dodecane-1,12-disulfonamide
CID 57288842
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958

Frequently Asked Questions

What is the IUPAC name of 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide?
The IUPAC name of 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide (CID 103491019) is 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide.
What is the SMILES notation for 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide?
The canonical SMILES for 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide is CCOCC(C)OCCCCCCCCCS(N)(=O)=O.
What is the InChIKey of 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide?
The InChIKey is QCVMOHHXJNUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4S/c1-3-18-13-14(2)19-11-9-7-5-4-6-8-10-12-20(15,16)17/h14H,3-13H2,1-2H3,(H2,15,16,17).
What are the key properties of 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide?
9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide has a molecular weight of 309.47 g/mol, XLogP of 2.45, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide is sourced from PubChem (CID 103491019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).