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

C6H16N2OS — CID 130589076

IUPACN'-(2-ethylsulfinylethyl)ethane-1,2-diamine
SMILESCCS(=O)CCNCCN
InChIInChI=1S/C6H16N2OS/c1-2-10(9)6-5-8-4-3-7/h8H,2-7H2,1H3
InChIKeyBFIDERPMNSDTOC-UHFFFAOYSA-N
MW164.27 g/mol
LogP-0.70
Rot. Bonds6

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

N'-(2-ethylsulfinylethyl)ethane-1,2-diamine (PubChem CID 130589076) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is N'-(2-ethylsulfinylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfinylethyl)ethane-1,2-diamine
PubChem CID130589076
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC NameN'-(2-ethylsulfinylethyl)ethane-1,2-diamine
SMILESCCS(=O)CCNCCN
InChIInChI=1S/C6H16N2OS/c1-2-10(9)6-5-8-4-3-7/h8H,2-7H2,1H3
InChIKeyBFIDERPMNSDTOC-UHFFFAOYSA-N
XLogP-0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-0.70
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-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane
CID 174822335
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120
N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 103409694
sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride
CID 175369186
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine
CID 115907341
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 115627127
azane;N'-propylethane-1,2-diamine
CID 87476258

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfinylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethylsulfinylethyl)ethane-1,2-diamine (CID 130589076) is N'-(2-ethylsulfinylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylsulfinylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylsulfinylethyl)ethane-1,2-diamine is CCS(=O)CCNCCN.
What is the InChIKey of N'-(2-ethylsulfinylethyl)ethane-1,2-diamine?
The InChIKey is BFIDERPMNSDTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-2-10(9)6-5-8-4-3-7/h8H,2-7H2,1H3.
What are the key properties of N'-(2-ethylsulfinylethyl)ethane-1,2-diamine?
N'-(2-ethylsulfinylethyl)ethane-1,2-diamine has a molecular weight of 164.27 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfinylethyl)ethane-1,2-diamine is sourced from PubChem (CID 130589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).