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

C10H18Cl2N2S — CID 11708797

IUPACN'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCSc1ccccc1
InChIInChI=1S/C10H16N2S.2ClH/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;;/h1-5,12H,6-9,11H2;2*1H
InChIKeyQYJMLZUUWIYCGA-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.17
Rot. Bonds6

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

N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 11708797) has the molecular formula C10H18Cl2N2S and a molecular weight of 269.24 g/mol. Its IUPAC name is N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID11708797
Molecular FormulaC10H18Cl2N2S
Molecular Weight269.24 g/mol
Exact Mass268.06
IUPAC NameN'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCSc1ccccc1
InChIInChI=1S/C10H16N2S.2ClH/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;;/h1-5,12H,6-9,11H2;2*1H
InChIKeyQYJMLZUUWIYCGA-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.17
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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Related Compounds

N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N'-[2-(4-bromophenyl)sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69273866
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
4-bromo-N-(2-phenylsulfanylethyl)butan-1-amine
CID 106844751
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
N'-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]ethane-1,2-diamine;dihydrochloride
CID 69275084
4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2-(2-phenylsulfanylethylamino)ethylurea
CID 83113958
5,5,5-trifluoro-N-(2-phenylsulfanylethyl)pentan-1-amine
CID 113327389
5-phenylsulfanylpentan-1-amine
CID 15227684

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (CID 11708797) is N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNCCSc1ccccc1.
What is the InChIKey of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is QYJMLZUUWIYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.2ClH/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;;/h1-5,12H,6-9,11H2;2*1H.
What are the key properties of N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 269.24 g/mol, XLogP of 2.17, 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;dihydrochloride is sourced from PubChem (CID 11708797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).