N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

C8H17NO3S — CID 114631629

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)9-6-5-7(10)8(6,2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyJJVJACPEXZJMNY-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.09
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (PubChem CID 114631629) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
PubChem CID114631629
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)9-6-5-7(10)8(6,2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyJJVJACPEXZJMNY-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanesulfonamide
CID 71787605
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
CID 95984653
N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide
CID 136529949
(2R,1'S,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999218
(2R,1'R,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999219
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 113610357
1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631552
N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
CID 71787606
N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide
CID 56794318
N-(2-hydroxy-4,4-dimethylpentyl)cyclopropanesulfonamide
CID 59636930
5-hydroxy-N-(5-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentane-1-sulfonamide
CID 88114360
N-[(3R,5S)-5-hydroxy-6,6-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487522

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (CID 114631629) is N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is CCS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The InChIKey is JJVJACPEXZJMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-13(11,12)9-6-5-7(10)8(6,2)3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is sourced from PubChem (CID 114631629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).