2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol

C11H21NOS — CID 107269896

IUPAC2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
SMILESCSC1(CNC2CC(O)C2(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-10(2)8(6-9(10)13)12-7-11(14-3)4-5-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyGNIKNVQOWFUBTJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds4

About 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol (PubChem CID 107269896) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
PubChem CID107269896
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
SMILESCSC1(CNC2CC(O)C2(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-10(2)8(6-9(10)13)12-7-11(14-3)4-5-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyGNIKNVQOWFUBTJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol
CID 112634107
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
CID 115977681
2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
CID 107270118
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 75515369
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104860466
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol (CID 107269896) is 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol is CSC1(CNC2CC(O)C2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol?
The InChIKey is GNIKNVQOWFUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)8(6-9(10)13)12-7-11(14-3)4-5-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.63, 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-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 107269896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).