1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane

C10H27N5O2S — CID 87739643

IUPAC1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
SMILESNCCCNCCCCNCCCNS(N)(=O)=O
InChIInChI=1S/C10H27N5O2S/c11-5-3-8-13-6-1-2-7-14-9-4-10-15-18(12,16)17/h13-15H,1-11H2,(H2,12,16,17)
InChIKeyVJJRTWRUGRICPJ-UHFFFAOYSA-N
MW281.43 g/mol
LogP-1.52
Rot. Bonds13

About 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane

1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane (PubChem CID 87739643) has the molecular formula C10H27N5O2S and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane.

Molecular Properties

Compound Name1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
PubChem CID87739643
Molecular FormulaC10H27N5O2S
Molecular Weight281.43 g/mol
Exact Mass281.19
IUPAC Name1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
SMILESNCCCNCCCCNCCCNS(N)(=O)=O
InChIInChI=1S/C10H27N5O2S/c11-5-3-8-13-6-1-2-7-14-9-4-10-15-18(12,16)17/h13-15H,1-11H2,(H2,12,16,17)
InChIKeyVJJRTWRUGRICPJ-UHFFFAOYSA-N
XLogP-1.52
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane?
The IUPAC name of 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane (CID 87739643) is 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane.
What is the SMILES notation for 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane?
The canonical SMILES for 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane is NCCCNCCCCNCCCNS(N)(=O)=O.
What is the InChIKey of 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane?
The InChIKey is VJJRTWRUGRICPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N5O2S/c11-5-3-8-13-6-1-2-7-14-9-4-10-15-18(12,16)17/h13-15H,1-11H2,(H2,12,16,17).
What are the key properties of 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane?
1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane has a molecular weight of 281.43 g/mol, XLogP of -1.52, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane is sourced from PubChem (CID 87739643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).