N'-(2-phenylsulfanylethyl)ethane-1,2-diamine

C10H16N2S — CID 10465291

IUPACN'-(2-phenylsulfanylethyl)ethane-1,2-diamine
SMILESNCCNCCSc1ccccc1
InChIInChI=1S/C10H16N2S/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyCCJWSPZKRUOYDU-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.33
Rot. Bonds6

About N'-(2-phenylsulfanylethyl)ethane-1,2-diamine

N'-(2-phenylsulfanylethyl)ethane-1,2-diamine (PubChem CID 10465291) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N'-(2-phenylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phenylsulfanylethyl)ethane-1,2-diamine
PubChem CID10465291
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN'-(2-phenylsulfanylethyl)ethane-1,2-diamine
SMILESNCCNCCSc1ccccc1
InChIInChI=1S/C10H16N2S/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyCCJWSPZKRUOYDU-UHFFFAOYSA-N
XLogP1.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine (CID 10465291) is N'-(2-phenylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phenylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-phenylsulfanylethyl)ethane-1,2-diamine is NCCNCCSc1ccccc1.
What is the InChIKey of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is CCJWSPZKRUOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2.
What are the key properties of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine?
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 10465291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).