2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol

C15H23NO3S — CID 114630104

IUPAC2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-4-9-20(18,19)12-8-6-5-7-11(12)16-13-10-14(17)15(13,2)3/h5-8,13-14,16-17H,4,9-10H2,1-3H3
InChIKeyNQWPZDMXGYERAB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol

2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol (PubChem CID 114630104) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
PubChem CID114630104
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-4-9-20(18,19)12-8-6-5-7-11(12)16-13-10-14(17)15(13,2)3/h5-8,13-14,16-17H,4,9-10H2,1-3H3
InChIKeyNQWPZDMXGYERAB-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[(2-propan-2-yloxolan-3-yl)methyl]aniline
CID 71977936
4-[2-(Difluoromethylsulfonyl)anilino]cyclohexan-1-ol
CID 43455377
2-(difluoromethylsulfonyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43726769
3-[2-[2-(Trifluoromethylsulfonyl)anilino]ethylsulfanyl]propan-1-ol
CID 60265638
3,3-Dimethyl-1-[2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 60303873
1-[4-Fluoro-2-(trifluoromethylsulfonyl)anilino]-3,3-dimethylbutan-2-ol
CID 60304310
4-Methyl-2-[2-(trifluoromethylsulfonyl)anilino]pentan-1-ol
CID 61247175
2-[2-(Difluoromethylsulfonyl)anilino]-4-methylpentan-1-ol
CID 61247321
3-[2-(Difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 63938843
4-[2-(Trifluoromethylsulfonyl)anilino]butan-2-ol
CID 64202912
4-[2-(Difluoromethylsulfonyl)anilino]butan-2-ol
CID 64203109
3-Amino-4-[2-(difluoromethylsulfonyl)anilino]butan-2-ol
CID 64538973

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol (CID 114630104) is 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol is CCCS(=O)(=O)c1ccccc1NC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol?
The InChIKey is NQWPZDMXGYERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-9-20(18,19)12-8-6-5-7-11(12)16-13-10-14(17)15(13,2)3/h5-8,13-14,16-17H,4,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol?
2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol is sourced from PubChem (CID 114630104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).