3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine

C10H21NOS — CID 104871600

IUPAC3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CCSC)C1
InChIInChI=1S/C10H21NOS/c1-8(4-5-13-3)11-9-6-10(7-9)12-2/h8-11H,4-7H2,1-3H3
InChIKeyPDXUYZWQPKBIRZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.89
Rot. Bonds6

About 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine

3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine (PubChem CID 104871600) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
PubChem CID104871600
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CCSC)C1
InChIInChI=1S/C10H21NOS/c1-8(4-5-13-3)11-9-6-10(7-9)12-2/h8-11H,4-7H2,1-3H3
InChIKeyPDXUYZWQPKBIRZ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine 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

3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103921024
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 104870909
3-[3-[methyl-[(2-methylthiiran-2-yl)methyl]amino]propoxy]-N-propan-2-ylcyclobutan-1-amine
CID 166678729
N-(2-methylpropyl)-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 167191692
3-(3-methylsulfanylpropoxy)-N-propylcyclobutan-1-amine
CID 169934389
N-ethyl-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 170250840
3-[3-[methyl(2-methylpropyl)amino]propoxy]-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 170251203
N-(3-methylsulfanylpropyl)-3-propan-2-yloxypropan-1-amine
CID 28727168
4-(2-methoxyethylsulfanyl)-N-propan-2-ylbutan-1-amine
CID 62578862
4-(3-methoxypropylsulfanyl)-N-propan-2-ylbutan-1-amine
CID 63856894
4-methoxy-N-(3-methylsulfanylpropyl)butan-2-amine
CID 63981022
4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)butan-2-amine
CID 63982781

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine (CID 104871600) is 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine is COC1CC(NC(C)CCSC)C1.
What is the InChIKey of 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine?
The InChIKey is PDXUYZWQPKBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(4-5-13-3)11-9-6-10(7-9)12-2/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine?
3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 104871600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).