2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride

C12H30Cl2N2O2S2 — CID 131886661

IUPAC2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCSS(=O)(=O)CCN(CC)CC.Cl.Cl
InChIInChI=1S/C12H28N2O2S2.2ClH/c1-5-13(6-2)9-11-17-18(15,16)12-10-14(7-3)8-4;;/h5-12H2,1-4H3;2*1H
InChIKeyCFRLUOTVAJFTKE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.58
Rot. Bonds11

About 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride

2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride (PubChem CID 131886661) has the molecular formula C12H30Cl2N2O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
PubChem CID131886661
Molecular FormulaC12H30Cl2N2O2S2
Molecular Weight369.42 g/mol
Exact Mass368.11
IUPAC Name2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCSS(=O)(=O)CCN(CC)CC.Cl.Cl
InChIInChI=1S/C12H28N2O2S2.2ClH/c1-5-13(6-2)9-11-17-18(15,16)12-10-14(7-3)8-4;;/h5-12H2,1-4H3;2*1H
InChIKeyCFRLUOTVAJFTKE-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
1-ethylsulfonylsulfanylpropane
CID 171772956
N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
CID 559672
N,N-diethyl-2-piperidin-1-ylsulfonylethanamine
CID 91417468
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
CID 87674337
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
2-(diethylamino)ethyl-triethylazanium;methane;methanesulfonate
CID 161284822
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride (CID 131886661) is 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride is CCN(CC)CCSS(=O)(=O)CCN(CC)CC.Cl.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride?
The InChIKey is CFRLUOTVAJFTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S2.2ClH/c1-5-13(6-2)9-11-17-18(15,16)12-10-14(7-3)8-4;;/h5-12H2,1-4H3;2*1H.
What are the key properties of 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride?
2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride has a molecular weight of 369.42 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride is sourced from PubChem (CID 131886661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).