2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol

C11H23NOS — CID 115977681

IUPAC2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
SMILESCSC(C)(C)CNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NOS/c1-10(2,14-5)7-12-8-6-9(13)11(8,3)4/h8-9,12-13H,6-7H2,1-5H3
InChIKeyWNBGNVDIQYYGPW-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds4

About 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol (PubChem CID 115977681) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
PubChem CID115977681
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
SMILESCSC(C)(C)CNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NOS/c1-10(2,14-5)7-12-8-6-9(13)11(8,3)4/h8-9,12-13H,6-7H2,1-5H3
InChIKeyWNBGNVDIQYYGPW-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
CID 114629404
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488
3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104860466
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
CID 112633253
2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
CID 107269896
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-[(2,2-difluoro-2-phenylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629614
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
CID 102731680

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol (CID 115977681) is 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol is CSC(C)(C)CNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol?
The InChIKey is WNBGNVDIQYYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2,14-5)7-12-8-6-9(13)11(8,3)4/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 115977681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).