2-[(4-methoxyphenyl)disulfanyl]ethanamine

C9H13NOS2 — CID 10060733

IUPAC2-[(4-methoxyphenyl)disulfanyl]ethanamine
SMILESCOc1ccc(SSCCN)cc1
InChIInChI=1S/C9H13NOS2/c1-11-8-2-4-9(5-3-8)13-12-7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyBKVWDDMNAYQDRR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.39
Rot. Bonds5

About 2-[(4-methoxyphenyl)disulfanyl]ethanamine

2-[(4-methoxyphenyl)disulfanyl]ethanamine (PubChem CID 10060733) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)disulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)disulfanyl]ethanamine
PubChem CID10060733
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name2-[(4-methoxyphenyl)disulfanyl]ethanamine
SMILESCOc1ccc(SSCCN)cc1
InChIInChI=1S/C9H13NOS2/c1-11-8-2-4-9(5-3-8)13-12-7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyBKVWDDMNAYQDRR-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
CID 71339520
trimethoxy-[3-(phenyldisulfanyl)propyl]silane
CID 14765025
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-amine
CID 58684174
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 43530473
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
CID 105484979
3-[2-(4-methoxyphenyl)ethylsulfanyl]propan-1-amine
CID 66217832
4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
CID 64695649
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
CID 141168996

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)disulfanyl]ethanamine?
The IUPAC name of 2-[(4-methoxyphenyl)disulfanyl]ethanamine (CID 10060733) is 2-[(4-methoxyphenyl)disulfanyl]ethanamine.
What is the SMILES notation for 2-[(4-methoxyphenyl)disulfanyl]ethanamine?
The canonical SMILES for 2-[(4-methoxyphenyl)disulfanyl]ethanamine is COc1ccc(SSCCN)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)disulfanyl]ethanamine?
The InChIKey is BKVWDDMNAYQDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-11-8-2-4-9(5-3-8)13-12-7-6-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)disulfanyl]ethanamine?
2-[(4-methoxyphenyl)disulfanyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)disulfanyl]ethanamine is sourced from PubChem (CID 10060733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).