3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol

C11H23NOS — CID 115977674

IUPAC3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCCSCC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NOS/c1-5-14-7-8(2)12-9-6-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyZIZFPCPXORLCHK-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds5

About 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol

3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 115977674) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID115977674
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCCSCC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NOS/c1-5-14-7-8(2)12-9-6-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyZIZFPCPXORLCHK-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 115906035
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
2,2-dimethyl-3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutan-1-ol
CID 112633726
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103952275
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
CID 104940499
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol (CID 115977674) is 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol is CCSCC(C)NC1CC(O)C1(C)C.
What is the InChIKey of 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ZIZFPCPXORLCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-5-14-7-8(2)12-9-6-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).