2-(3-aminopropylamino)ethanesulfonic acid;azane

C5H17N3O3S — CID 174955482

IUPAC2-(3-aminopropylamino)ethanesulfonic acid;azane
SMILESN.NCCCNCCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S.H3N/c6-2-1-3-7-4-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3
InChIKeyWUQQZWHVFVUILC-UHFFFAOYSA-N
MW199.28 g/mol
LogP-1.03
Rot. Bonds6

About 2-(3-aminopropylamino)ethanesulfonic acid;azane

2-(3-aminopropylamino)ethanesulfonic acid;azane (PubChem CID 174955482) has the molecular formula C5H17N3O3S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(3-aminopropylamino)ethanesulfonic acid;azane.

Molecular Properties

Compound Name2-(3-aminopropylamino)ethanesulfonic acid;azane
PubChem CID174955482
Molecular FormulaC5H17N3O3S
Molecular Weight199.28 g/mol
Exact Mass199.10
IUPAC Name2-(3-aminopropylamino)ethanesulfonic acid;azane
SMILESN.NCCCNCCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S.H3N/c6-2-1-3-7-4-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3
InChIKeyWUQQZWHVFVUILC-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-(2-aminoethylamino)propane-1-sulfonic acid;azane
CID 175205538
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
2-(decylamino)ethanesulfonic acid
CID 13089902
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
2-(3-aminopropylamino)-N-methylethanesulfonamide
CID 106333620
N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium
CID 90134017
2-aminoethanesulfonic acid;2-[[(Z)-nonadec-9-enyl]amino]ethanesulfonic acid
CID 175975835

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)ethanesulfonic acid;azane?
The IUPAC name of 2-(3-aminopropylamino)ethanesulfonic acid;azane (CID 174955482) is 2-(3-aminopropylamino)ethanesulfonic acid;azane.
What is the SMILES notation for 2-(3-aminopropylamino)ethanesulfonic acid;azane?
The canonical SMILES for 2-(3-aminopropylamino)ethanesulfonic acid;azane is N.NCCCNCCS(=O)(=O)O.
What is the InChIKey of 2-(3-aminopropylamino)ethanesulfonic acid;azane?
The InChIKey is WUQQZWHVFVUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S.H3N/c6-2-1-3-7-4-5-11(8,9)10;/h7H,1-6H2,(H,8,9,10);1H3.
What are the key properties of 2-(3-aminopropylamino)ethanesulfonic acid;azane?
2-(3-aminopropylamino)ethanesulfonic 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 2-(3-aminopropylamino)ethanesulfonic acid;azane is sourced from PubChem (CID 174955482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).