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

C13H25NOS — CID 103952052

IUPAC2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
SMILESCSC1CCCC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C13H25NOS/c1-13(2)11(8-12(13)15)14-9-5-4-6-10(7-9)16-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyNYOPSMPLUQIKHN-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

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

2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol (PubChem CID 103952052) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
PubChem CID103952052
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
SMILESCSC1CCCC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C13H25NOS/c1-13(2)11(8-12(13)15)14-9-5-4-6-10(7-9)16-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyNYOPSMPLUQIKHN-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
CID 115977876
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430
2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
CID 115977837
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
2,2-dimethyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclobutan-1-ol
CID 114629269
2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
CID 112633891
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol (CID 103952052) is 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol is CSC1CCCC(NC2CC(O)C2(C)C)C1.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol?
The InChIKey is NYOPSMPLUQIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-13(2)11(8-12(13)15)14-9-5-4-6-10(7-9)16-3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 103952052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).