1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine

C11H15NS2 — CID 84790451

IUPAC1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
SMILESCSc1ccc(C2(N)CC2)c(SC)c1
InChIInChI=1S/C11H15NS2/c1-13-8-3-4-9(10(7-8)14-2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyAVFUXFOHCQQWEW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.08
Rot. Bonds3

About 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine

1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine (PubChem CID 84790451) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
PubChem CID84790451
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
SMILESCSc1ccc(C2(N)CC2)c(SC)c1
InChIInChI=1S/C11H15NS2/c1-13-8-3-4-9(10(7-8)14-2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyAVFUXFOHCQQWEW-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
2-(1-aminocyclohexyl)-4-methylsulfanylphenol
CID 117347880
1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 84805957
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 84798779
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutan-1-amine
CID 117381878
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
1-(3-methylsulfanylphenyl)cyclopentan-1-amine
CID 82611331
sodium 2,4-bis(methylsulfanyl)benzenethiolate
CID 20706932
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 117489455
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117343770
1-[3,4,5-tris(methylsulfanyl)phenyl]cyclopentan-1-amine
CID 117482555

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine (CID 84790451) is 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine is CSc1ccc(C2(N)CC2)c(SC)c1.
What is the InChIKey of 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine?
The InChIKey is AVFUXFOHCQQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-13-8-3-4-9(10(7-8)14-2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine?
1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84790451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).