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

C9H19NO3S — CID 114631479

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C9H19NO3S/c1-4-5-14(12,13)10-7-6-8(11)9(7,2)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyIRAPPOKPNUHZBX-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.48
Rot. Bonds4

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide (PubChem CID 114631479) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
PubChem CID114631479
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C9H19NO3S/c1-4-5-14(12,13)10-7-6-8(11)9(7,2)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyIRAPPOKPNUHZBX-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.48
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)propane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide (CID 114631479) is N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
The InChIKey is IRAPPOKPNUHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-5-14(12,13)10-7-6-8(11)9(7,2)3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.48, 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)propane-1-sulfonamide is sourced from PubChem (CID 114631479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).