N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide

C12H25NO3S — CID 104953052

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H25NO3S/c1-11(2,3)6-7-17(15,16)13-9-8-10(14)12(9,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyLOJZKUMVSRHZKK-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.50
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 104953052) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID104953052
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H25NO3S/c1-11(2,3)6-7-17(15,16)13-9-8-10(14)12(9,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyLOJZKUMVSRHZKK-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.50
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)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide (CID 104953052) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is LOJZKUMVSRHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2,3)6-7-17(15,16)13-9-8-10(14)12(9,4)5/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.50, 4 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)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 104953052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).