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

C10H21NO3S — CID 114631501

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO3S/c1-7(2)6-15(13,14)11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyWJAXGSRTLMQVSP-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.72
Rot. Bonds4

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide (PubChem CID 114631501) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide
PubChem CID114631501
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO3S/c1-7(2)6-15(13,14)11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyWJAXGSRTLMQVSP-UHFFFAOYSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.72
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)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide (CID 114631501) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide?
The InChIKey is WJAXGSRTLMQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(2)6-15(13,14)11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.72, 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)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 114631501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).