N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide

C10H23NO3S — CID 103844842

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(CC)(CC)CO
InChIInChI=1S/C10H23NO3S/c1-4-7-15(13,14)11-8-10(5-2,6-3)9-12/h11-12H,4-9H2,1-3H3
InChIKeyXEEYELWLLJMVIU-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide

N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide (PubChem CID 103844842) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
PubChem CID103844842
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(CC)(CC)CO
InChIInChI=1S/C10H23NO3S/c1-4-7-15(13,14)11-8-10(5-2,6-3)9-12/h11-12H,4-9H2,1-3H3
InChIKeyXEEYELWLLJMVIU-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide (CID 103844842) is N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(CC)(CC)CO.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide?
The InChIKey is XEEYELWLLJMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-7-15(13,14)11-8-10(5-2,6-3)9-12/h11-12H,4-9H2,1-3H3.
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide is sourced from PubChem (CID 103844842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).