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

C7H15NO3S — CID 114631627

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(2)5(4-6(7)9)8-12(3,10)11/h5-6,8-9H,4H2,1-3H3
InChIKeyPGEPFEOOPSBNAH-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.31
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114631627) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114631627
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(2)5(4-6(7)9)8-12(3,10)11/h5-6,8-9H,4H2,1-3H3
InChIKeyPGEPFEOOPSBNAH-UHFFFAOYSA-N
XLogP-0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114631627) is N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is PGEPFEOOPSBNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2)5(4-6(7)9)8-12(3,10)11/h5-6,8-9H,4H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of -0.31, 2 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)methanesulfonamide is sourced from PubChem (CID 114631627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).