3-[2-(sulfamoylamino)ethylamino]pentane

C7H19N3O2S — CID 138623306

IUPAC3-[2-(sulfamoylamino)ethylamino]pentane
SMILESCCC(CC)NCCNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-3-7(4-2)9-5-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyNQDYRLKISZGGKD-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.44
Rot. Bonds7

About 3-[2-(sulfamoylamino)ethylamino]pentane

3-[2-(sulfamoylamino)ethylamino]pentane (PubChem CID 138623306) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-[2-(sulfamoylamino)ethylamino]pentane.

Molecular Properties

Compound Name3-[2-(sulfamoylamino)ethylamino]pentane
PubChem CID138623306
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name3-[2-(sulfamoylamino)ethylamino]pentane
SMILESCCC(CC)NCCNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-3-7(4-2)9-5-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyNQDYRLKISZGGKD-UHFFFAOYSA-N
XLogP-0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(sulfamoylamino)ethylamino]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(sulfamoylamino)ethylamino]pentane?
The IUPAC name of 3-[2-(sulfamoylamino)ethylamino]pentane (CID 138623306) is 3-[2-(sulfamoylamino)ethylamino]pentane.
What is the SMILES notation for 3-[2-(sulfamoylamino)ethylamino]pentane?
The canonical SMILES for 3-[2-(sulfamoylamino)ethylamino]pentane is CCC(CC)NCCNS(N)(=O)=O.
What is the InChIKey of 3-[2-(sulfamoylamino)ethylamino]pentane?
The InChIKey is NQDYRLKISZGGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-3-7(4-2)9-5-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of 3-[2-(sulfamoylamino)ethylamino]pentane?
3-[2-(sulfamoylamino)ethylamino]pentane has a molecular weight of 209.31 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(sulfamoylamino)ethylamino]pentane is sourced from PubChem (CID 138623306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).