2-[2-(sulfamoylamino)ethylamino]propane

C5H15N3O2S — CID 59709259

IUPAC2-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(C)NCCNS(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c1-5(2)7-3-4-8-11(6,9)10/h5,7-8H,3-4H2,1-2H3,(H2,6,9,10)
InChIKeyHSIPJSQLNZABPE-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.22
Rot. Bonds5

About 2-[2-(sulfamoylamino)ethylamino]propane

2-[2-(sulfamoylamino)ethylamino]propane (PubChem CID 59709259) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-[2-(sulfamoylamino)ethylamino]propane.

Molecular Properties

Compound Name2-[2-(sulfamoylamino)ethylamino]propane
PubChem CID59709259
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC Name2-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(C)NCCNS(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c1-5(2)7-3-4-8-11(6,9)10/h5,7-8H,3-4H2,1-2H3,(H2,6,9,10)
InChIKeyHSIPJSQLNZABPE-UHFFFAOYSA-N
XLogP-1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(sulfamoylamino)ethylamino]propane?
The IUPAC name of 2-[2-(sulfamoylamino)ethylamino]propane (CID 59709259) is 2-[2-(sulfamoylamino)ethylamino]propane.
What is the SMILES notation for 2-[2-(sulfamoylamino)ethylamino]propane?
The canonical SMILES for 2-[2-(sulfamoylamino)ethylamino]propane is CC(C)NCCNS(N)(=O)=O.
What is the InChIKey of 2-[2-(sulfamoylamino)ethylamino]propane?
The InChIKey is HSIPJSQLNZABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O2S/c1-5(2)7-3-4-8-11(6,9)10/h5,7-8H,3-4H2,1-2H3,(H2,6,9,10).
What are the key properties of 2-[2-(sulfamoylamino)ethylamino]propane?
2-[2-(sulfamoylamino)ethylamino]propane has a molecular weight of 181.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(sulfamoylamino)ethylamino]propane is sourced from PubChem (CID 59709259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).