1-(1-aminoethylsulfonyl)ethanamine

C4H12N2O2S — CID 4611171

IUPAC1-(1-aminoethylsulfonyl)ethanamine
SMILESCC(N)S(=O)(=O)C(C)N
InChIInChI=1S/C4H12N2O2S/c1-3(5)9(7,8)4(2)6/h3-4H,5-6H2,1-2H3
InChIKeyRNXJKYXEKCOBSS-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.99
Rot. Bonds2

About 1-(1-aminoethylsulfonyl)ethanamine

1-(1-aminoethylsulfonyl)ethanamine (PubChem CID 4611171) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-(1-aminoethylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(1-aminoethylsulfonyl)ethanamine
PubChem CID4611171
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name1-(1-aminoethylsulfonyl)ethanamine
SMILESCC(N)S(=O)(=O)C(C)N
InChIInChI=1S/C4H12N2O2S/c1-3(5)9(7,8)4(2)6/h3-4H,5-6H2,1-2H3
InChIKeyRNXJKYXEKCOBSS-UHFFFAOYSA-N
XLogP-0.99
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylsulfonyl)ethanamine
CID 4340561
2-Methanesulfonylpropan-1-amine
CID 54446112
2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
2-(2-Aminoethanesulfonyl)ethan-1-amine
CID 19026147
N-mesylethylimine
CID 21952178
Taurylmethylamine
CID 88978653
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511
2-Methylsulfonylethylazanium
CID 7010004
3-Propylsulfonylpropan-1-amine
CID 20792595
2-(2-Aminoethanesulfonyl)ethan-1-amine dihydrochloride
CID 21548032
1-(Butylsulfonyl)eth-2-ylamine
CID 21749622

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylsulfonyl)ethanamine?
The IUPAC name of 1-(1-aminoethylsulfonyl)ethanamine (CID 4611171) is 1-(1-aminoethylsulfonyl)ethanamine.
What is the SMILES notation for 1-(1-aminoethylsulfonyl)ethanamine?
The canonical SMILES for 1-(1-aminoethylsulfonyl)ethanamine is CC(N)S(=O)(=O)C(C)N.
What is the InChIKey of 1-(1-aminoethylsulfonyl)ethanamine?
The InChIKey is RNXJKYXEKCOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-3(5)9(7,8)4(2)6/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(1-aminoethylsulfonyl)ethanamine?
1-(1-aminoethylsulfonyl)ethanamine has a molecular weight of 152.22 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylsulfonyl)ethanamine is sourced from PubChem (CID 4611171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).