3-(2-aminoethylamino)propane-1-sulfonic acid;azane

C5H17N3O3S — CID 175205538

IUPAC3-(2-aminoethylamino)propane-1-sulfonic acid;azane
SMILESN.NCCNCCCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S.H3N/c6-2-4-7-3-1-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3
InChIKeyIZVGGGLRQLQAGD-UHFFFAOYSA-N
MW199.28 g/mol
LogP-1.03
Rot. Bonds6

About 3-(2-aminoethylamino)propane-1-sulfonic acid;azane

3-(2-aminoethylamino)propane-1-sulfonic acid;azane (PubChem CID 175205538) has the molecular formula C5H17N3O3S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(2-aminoethylamino)propane-1-sulfonic acid;azane.

Molecular Properties

Compound Name3-(2-aminoethylamino)propane-1-sulfonic acid;azane
PubChem CID175205538
Molecular FormulaC5H17N3O3S
Molecular Weight199.28 g/mol
Exact Mass199.10
IUPAC Name3-(2-aminoethylamino)propane-1-sulfonic acid;azane
SMILESN.NCCNCCCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S.H3N/c6-2-4-7-3-1-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3
InChIKeyIZVGGGLRQLQAGD-UHFFFAOYSA-N
XLogP-1.03
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
2-(3-aminopropylamino)ethanesulfonic acid;azane
CID 174955482
3-[2-[(2-aminoethylamino)-(3-sulfopropyl)amino]ethylamino]propane-1-sulfonic acid
CID 123778865
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
CID 175486364
3-(6-chlorohexylamino)propane-1-sulfonic acid
CID 150387365
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792
3-(2-acetyloxyethylamino)propane-1-sulfonic acid
CID 12643429
strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895
3-[2-[3-(phosphanylamino)propylsulfonyl]ethylamino]propane-1-sulfonic acid
CID 59745211

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)propane-1-sulfonic acid;azane?
The IUPAC name of 3-(2-aminoethylamino)propane-1-sulfonic acid;azane (CID 175205538) is 3-(2-aminoethylamino)propane-1-sulfonic acid;azane.
What is the SMILES notation for 3-(2-aminoethylamino)propane-1-sulfonic acid;azane?
The canonical SMILES for 3-(2-aminoethylamino)propane-1-sulfonic acid;azane is N.NCCNCCCS(=O)(=O)O.
What is the InChIKey of 3-(2-aminoethylamino)propane-1-sulfonic acid;azane?
The InChIKey is IZVGGGLRQLQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S.H3N/c6-2-4-7-3-1-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3.
What are the key properties of 3-(2-aminoethylamino)propane-1-sulfonic acid;azane?
3-(2-aminoethylamino)propane-1-sulfonic acid;azane has a molecular weight of 199.28 g/mol, XLogP of -1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)propane-1-sulfonic acid;azane is sourced from PubChem (CID 175205538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).