N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide

C9H19NO3S — CID 102847467

IUPACN-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10(7-4-8-11)9-5-3-6-9/h9,11H,2-8H2,1H3
InChIKeyRUMVDZGKDWVHLU-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide (PubChem CID 102847467) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
PubChem CID102847467
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10(7-4-8-11)9-5-3-6-9/h9,11H,2-8H2,1H3
InChIKeyRUMVDZGKDWVHLU-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
CID 102862554
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide (CID 102847467) is N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide is CCS(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide?
The InChIKey is RUMVDZGKDWVHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-14(12,13)10(7-4-8-11)9-5-3-6-9/h9,11H,2-8H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 102847467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).