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

C11H23NO3S — CID 114631529

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO3S/c1-8(2)5-6-16(14,15)12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyIDMFSMOITOOTNU-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.11
Rot. Bonds5

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide (PubChem CID 114631529) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
PubChem CID114631529
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO3S/c1-8(2)5-6-16(14,15)12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyIDMFSMOITOOTNU-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.11
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)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide (CID 114631529) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide?
The InChIKey is IDMFSMOITOOTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-8(2)5-6-16(14,15)12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.11, 5 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-methylbutane-1-sulfonamide is sourced from PubChem (CID 114631529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).