1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol

C13H19NOS — CID 111114566

IUPAC1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCSc1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-12-5-3-11(4-6-12)9-14-10-13(15)7-2-8-13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyOROWNOANYIGTNI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds5

About 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol

1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114566) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID111114566
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCSc1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-12-5-3-11(4-6-12)9-14-10-13(15)7-2-8-13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyOROWNOANYIGTNI-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol (CID 111114566) is 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol is CSc1ccc(CNCC2(O)CCC2)cc1.
What is the InChIKey of 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is OROWNOANYIGTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16-12-5-3-11(4-6-12)9-14-10-13(15)7-2-8-13/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol?
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).