3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine

C11H17NS2 — CID 116831551

IUPAC3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSCCC(N)c1ccc(SC)cc1
InChIInChI=1S/C11H17NS2/c1-13-8-7-11(12)9-3-5-10(14-2)6-4-9/h3-6,11H,7-8,12H2,1-2H3
InChIKeyUFWZFPDAIBUNSC-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.16
Rot. Bonds5

About 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine

3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine (PubChem CID 116831551) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
PubChem CID116831551
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSCCC(N)c1ccc(SC)cc1
InChIInChI=1S/C11H17NS2/c1-13-8-7-11(12)9-3-5-10(14-2)6-4-9/h3-6,11H,7-8,12H2,1-2H3
InChIKeyUFWZFPDAIBUNSC-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine (CID 116831551) is 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine is CSCCC(N)c1ccc(SC)cc1.
What is the InChIKey of 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine?
The InChIKey is UFWZFPDAIBUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-13-8-7-11(12)9-3-5-10(14-2)6-4-9/h3-6,11H,7-8,12H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine?
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 116831551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).