2-amino-N-(3-aminopropyl)ethanesulfonamide

C5H15N3O2S — CID 174282516

IUPAC2-amino-N-(3-aminopropyl)ethanesulfonamide
SMILESNCCCNS(=O)(=O)CCN
InChIInChI=1S/C5H15N3O2S/c6-2-1-4-8-11(9,10)5-3-7/h8H,1-7H2
InChIKeyZNMCAFWOCWQVLK-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.79
Rot. Bonds6

About 2-amino-N-(3-aminopropyl)ethanesulfonamide

2-amino-N-(3-aminopropyl)ethanesulfonamide (PubChem CID 174282516) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-amino-N-(3-aminopropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-aminopropyl)ethanesulfonamide
PubChem CID174282516
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC Name2-amino-N-(3-aminopropyl)ethanesulfonamide
SMILESNCCCNS(=O)(=O)CCN
InChIInChI=1S/C5H15N3O2S/c6-2-1-4-8-11(9,10)5-3-7/h8H,1-7H2
InChIKeyZNMCAFWOCWQVLK-UHFFFAOYSA-N
XLogP-1.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-aminopropyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3-aminopropyl)ethanesulfonamide (CID 174282516) is 2-amino-N-(3-aminopropyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3-aminopropyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3-aminopropyl)ethanesulfonamide is NCCCNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(3-aminopropyl)ethanesulfonamide?
The InChIKey is ZNMCAFWOCWQVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O2S/c6-2-1-4-8-11(9,10)5-3-7/h8H,1-7H2.
What are the key properties of 2-amino-N-(3-aminopropyl)ethanesulfonamide?
2-amino-N-(3-aminopropyl)ethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-aminopropyl)ethanesulfonamide is sourced from PubChem (CID 174282516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).