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

C10H21NO3S — CID 114631672

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-6-8(12)10(7,4)5/h7-8,11-12H,6H2,1-5H3
InChIKeyMUAZDNONWNKNNO-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.86
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide (PubChem CID 114631672) 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-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide
PubChem CID114631672
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-6-8(12)10(7,4)5/h7-8,11-12H,6H2,1-5H3
InChIKeyMUAZDNONWNKNNO-UHFFFAOYSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631576
N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
CID 71787606
N-[(3S,5S)-5-hydroxy-2,6,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487465
N-[(3R,5S)-5-hydroxy-6,6-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487522
N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487636
N-[(3S,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487637
N-(3-hydroxycyclobutyl)-2-methylpropane-2-sulfonamide
CID 65972934
N-(3-hydroxycyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 65973159

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide (CID 114631672) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide is CC1(C)C(O)CC1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide?
The InChIKey is MUAZDNONWNKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-6-8(12)10(7,4)5/h7-8,11-12H,6H2,1-5H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.86, 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)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 114631672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).