3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine

C12H17NOS — CID 117033278

IUPAC3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine
SMILESCOc1ccc(SC2CC(N)C2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-5-10(3-4-12(8)14-2)15-11-6-9(13)7-11/h3-5,9,11H,6-7,13H2,1-2H3
InChIKeyNEZWYKCUUYTBHD-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.59
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine

3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine (PubChem CID 117033278) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine
PubChem CID117033278
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine
SMILESCOc1ccc(SC2CC(N)C2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-5-10(3-4-12(8)14-2)15-11-6-9(13)7-11/h3-5,9,11H,6-7,13H2,1-2H3
InChIKeyNEZWYKCUUYTBHD-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 117033246
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
CID 117033267
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
S-(4-methoxy-3-methylphenyl) methanethioate
CID 117033657
3-phenylsulfanylcyclobutan-1-amine
CID 117033262
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine (CID 117033278) is 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine is COc1ccc(SC2CC(N)C2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine?
The InChIKey is NEZWYKCUUYTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-10(3-4-12(8)14-2)15-11-6-9(13)7-11/h3-5,9,11H,6-7,13H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine?
3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine is sourced from PubChem (CID 117033278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).