N,N-diethyl-2-sulfanyloxyethanamine

C6H15NOS — CID 141295772

IUPACN,N-diethyl-2-sulfanyloxyethanamine
SMILESCCN(CC)CCOS
InChIInChI=1S/C6H15NOS/c1-3-7(4-2)5-6-8-9/h9H,3-6H2,1-2H3
InChIKeyZGNRDHBMOCRTGT-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.19
Rot. Bonds5

About N,N-diethyl-2-sulfanyloxyethanamine

N,N-diethyl-2-sulfanyloxyethanamine (PubChem CID 141295772) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N,N-diethyl-2-sulfanyloxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-sulfanyloxyethanamine
PubChem CID141295772
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN,N-diethyl-2-sulfanyloxyethanamine
SMILESCCN(CC)CCOS
InChIInChI=1S/C6H15NOS/c1-3-7(4-2)5-6-8-9/h9H,3-6H2,1-2H3
InChIKeyZGNRDHBMOCRTGT-UHFFFAOYSA-N
XLogP1.19
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl hypochlorite
CID 87389474
2-[bis[2-(diethylamino)ethoxy]silyloxy]-N,N-diethylethanamine
CID 123680409
N,N-diethyl-2-(methylaminooxy)ethanamine
CID 143582118
2-(diiodomethoxy)-N,N-diethylethanamine
CID 166818774
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine
CID 123381764
2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
CID 10862842
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
N,N-diethylethanamine;thallium(1+);hydroxide
CID 174838347

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-sulfanyloxyethanamine?
The IUPAC name of N,N-diethyl-2-sulfanyloxyethanamine (CID 141295772) is N,N-diethyl-2-sulfanyloxyethanamine.
What is the SMILES notation for N,N-diethyl-2-sulfanyloxyethanamine?
The canonical SMILES for N,N-diethyl-2-sulfanyloxyethanamine is CCN(CC)CCOS.
What is the InChIKey of N,N-diethyl-2-sulfanyloxyethanamine?
The InChIKey is ZGNRDHBMOCRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-7(4-2)5-6-8-9/h9H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-sulfanyloxyethanamine?
N,N-diethyl-2-sulfanyloxyethanamine has a molecular weight of 149.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-sulfanyloxyethanamine is sourced from PubChem (CID 141295772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).