1-(2-aminoethylsulfinyl)ethanamine

C4H12N2OS — CID 87528120

IUPAC1-(2-aminoethylsulfinyl)ethanamine
SMILESCC(N)S(=O)CCN
InChIInChI=1S/C4H12N2OS/c1-4(6)8(7)3-2-5/h4H,2-3,5-6H2,1H3
InChIKeyCPGVKOPBZMSEIL-UHFFFAOYSA-N
MW136.22 g/mol
LogP-1.00
Rot. Bonds3

About 1-(2-aminoethylsulfinyl)ethanamine

1-(2-aminoethylsulfinyl)ethanamine (PubChem CID 87528120) has the molecular formula C4H12N2OS and a molecular weight of 136.22 g/mol. Its IUPAC name is 1-(2-aminoethylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2-aminoethylsulfinyl)ethanamine
PubChem CID87528120
Molecular FormulaC4H12N2OS
Molecular Weight136.22 g/mol
Exact Mass136.07
IUPAC Name1-(2-aminoethylsulfinyl)ethanamine
SMILESCC(N)S(=O)CCN
InChIInChI=1S/C4H12N2OS/c1-4(6)8(7)3-2-5/h4H,2-3,5-6H2,1H3
InChIKeyCPGVKOPBZMSEIL-UHFFFAOYSA-N
XLogP-1.00
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Aminoethanesulfinyl)-2-methylpropane
CID 54592933
(2-Aminoethyl)(methyl)(methylimino)-lambda6-sulfanone
CID 119056976
[(2-Aminoethyl)imino](ethyl)methyl-lambda6-sulfanone
CID 131002982
Bis(2-amino-ethyl)sulphoxide
CID 426891
Bis(2-aminoethyl)sulphoxide dihydrochloride
CID 12574422
2-(2-Aminoethylsulfinyl)ethanamine;hydrobromide
CID 24195871
1-[(Aminoethyl)sulfonyl]ethylamine
CID 4611171
2-(Ethanesulfinyl)ethan-1-amine
CID 15260276
1-Methylsulfinylethanamine
CID 17895402
1-Propylsulfinylpropan-1-amine
CID 19876679
1-Propan-2-ylsulfonylethanamine
CID 22017685
1-Ethylsulfonylethanamine
CID 53916299

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfinyl)ethanamine?
The IUPAC name of 1-(2-aminoethylsulfinyl)ethanamine (CID 87528120) is 1-(2-aminoethylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2-aminoethylsulfinyl)ethanamine?
The canonical SMILES for 1-(2-aminoethylsulfinyl)ethanamine is CC(N)S(=O)CCN.
What is the InChIKey of 1-(2-aminoethylsulfinyl)ethanamine?
The InChIKey is CPGVKOPBZMSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OS/c1-4(6)8(7)3-2-5/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-aminoethylsulfinyl)ethanamine?
1-(2-aminoethylsulfinyl)ethanamine has a molecular weight of 136.22 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfinyl)ethanamine is sourced from PubChem (CID 87528120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).