2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol

C11H17NOS — CID 112634022

IUPAC2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1ccsc1
InChIInChI=1S/C11H17NOS/c1-11(2)9(5-10(11)13)12-6-8-3-4-14-7-8/h3-4,7,9-10,12-13H,5-6H2,1-2H3
InChIKeyHKRVWXNVNDLHTP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.00
Rot. Bonds3

About 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol

2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol (PubChem CID 112634022) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
PubChem CID112634022
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1ccsc1
InChIInChI=1S/C11H17NOS/c1-11(2)9(5-10(11)13)12-6-8-3-4-14-7-8/h3-4,7,9-10,12-13H,5-6H2,1-2H3
InChIKeyHKRVWXNVNDLHTP-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 126979225
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629020
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
2,2-dimethyl-3-(pyridazin-3-ylmethylamino)cyclobutan-1-ol
CID 106895006
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol (CID 112634022) is 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol is CC1(C)C(O)CC1NCc1ccsc1.
What is the InChIKey of 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol?
The InChIKey is HKRVWXNVNDLHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2)9(5-10(11)13)12-6-8-3-4-14-7-8/h3-4,7,9-10,12-13H,5-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.00, 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-(thiophen-3-ylmethylamino)cyclobutan-1-ol is sourced from PubChem (CID 112634022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).