N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide

C13H29NO3S — CID 20721837

IUPACN-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(CCC)CCO
InChIInChI=1S/C13H29NO3S/c1-3-5-6-7-8-9-13-18(16,17)14(10-4-2)11-12-15/h15H,3-13H2,1-2H3
InChIKeyNRDFJMHRKGTIKN-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.38
Rot. Bonds12

About N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide

N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (PubChem CID 20721837) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
PubChem CID20721837
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC NameN-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(CCC)CCO
InChIInChI=1S/C13H29NO3S/c1-3-5-6-7-8-9-13-18(16,17)14(10-4-2)11-12-15/h15H,3-13H2,1-2H3
InChIKeyNRDFJMHRKGTIKN-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
CID 88682722
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(1-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 140004449
8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 141120645
1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 151054686
N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
CID 174490658
N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide
CID 178081917
8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide
CID 178081918
Sulfooctyl diethanolamine
CID 129712280
Bis(2-hydroxyethyl)(3-sulphonatopropyl)tetradecylammonium
CID 21149732
2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
CID 102401454
N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
CID 102401455
3-[Bis(2-hydroxyethyl)-methylazaniumyl]propane-1-sulfonate;hydrate
CID 170847075

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (CID 20721837) is N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is CCCCCCCCS(=O)(=O)N(CCC)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The InChIKey is NRDFJMHRKGTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-3-5-6-7-8-9-13-18(16,17)14(10-4-2)11-12-15/h15H,3-13H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide has a molecular weight of 279.45 g/mol, XLogP of 2.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 20721837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).