5-(3-aminopropylamino)pentane-1-thiol

C8H20N2S — CID 71726582

IUPAC5-(3-aminopropylamino)pentane-1-thiol
SMILESNCCCNCCCCCS
InChIInChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2
InChIKeyUEAAWEWNMXIYCA-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.02
Rot. Bonds8

About 5-(3-aminopropylamino)pentane-1-thiol

5-(3-aminopropylamino)pentane-1-thiol (PubChem CID 71726582) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 5-(3-aminopropylamino)pentane-1-thiol.

Molecular Properties

Compound Name5-(3-aminopropylamino)pentane-1-thiol
PubChem CID71726582
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name5-(3-aminopropylamino)pentane-1-thiol
SMILESNCCCNCCCCCS
InChIInChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2
InChIKeyUEAAWEWNMXIYCA-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
6-aminohexane-1-thiol
CID 12841471
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
33-aminotritriacontane-1-thiol
CID 87682293
2-(3-aminopropylamino)ethanethiol;chloro hypochlorite
CID 162166216
butan-1-amine;N-butylbutan-1-amine;dodecane-1-thiol;ethanol
CID 174413280

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)pentane-1-thiol?
The IUPAC name of 5-(3-aminopropylamino)pentane-1-thiol (CID 71726582) is 5-(3-aminopropylamino)pentane-1-thiol.
What is the SMILES notation for 5-(3-aminopropylamino)pentane-1-thiol?
The canonical SMILES for 5-(3-aminopropylamino)pentane-1-thiol is NCCCNCCCCCS.
What is the InChIKey of 5-(3-aminopropylamino)pentane-1-thiol?
The InChIKey is UEAAWEWNMXIYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2.
What are the key properties of 5-(3-aminopropylamino)pentane-1-thiol?
5-(3-aminopropylamino)pentane-1-thiol has a molecular weight of 176.33 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)pentane-1-thiol is sourced from PubChem (CID 71726582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).