N-hexyl-N-(2-hydroxyethyl)methanesulfonamide

C9H21NO3S — CID 64591574

IUPACN-hexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-4-5-6-7-10(8-9-11)14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyYUJAVTBNFKGSDH-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds8

About N-hexyl-N-(2-hydroxyethyl)methanesulfonamide

N-hexyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 64591574) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID64591574
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-hexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-4-5-6-7-10(8-9-11)14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyYUJAVTBNFKGSDH-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
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

Dodecyl(2-hydroxyethyl)dimethylammonium methanesulphonate
CID 3020111
Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
N-(2-hydroxyethyl)-N-propylmethanesulfonamide
CID 20702534
N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 20721837
N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 20793028
2-Hydroxyethyl-dimethyl-octylazanium;methanesulfonate
CID 22678985
[Decyl(2-hydroxyethyl)amino]methanesulfonic acid
CID 53847345
N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61447965
1-Hydroxyethyl-dimethyl-octylazanium;methanesulfonate
CID 87702105
2-Hydroxyethyl-dimethyl-octylazanium;methanesulfonic acid
CID 87702110
Methanesulfonate;tris(2-hydroxyethyl)-octylazanium
CID 88472006
N-ethyl-N-hexyl-2-hydroxyethanesulfonamide
CID 88625854

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)methanesulfonamide (CID 64591574) is N-hexyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)methanesulfonamide is CCCCCCN(CCO)S(C)(=O)=O.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is YUJAVTBNFKGSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-4-5-6-7-10(8-9-11)14(2,12)13/h11H,3-9H2,1-2H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
N-hexyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 64591574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).