3-(3-aminopropylsulfonylsulfanyl)propan-1-amine

C6H16N2O2S2 — CID 88671556

IUPAC3-(3-aminopropylsulfonylsulfanyl)propan-1-amine
SMILESNCCCSS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S2/c7-3-1-5-11-12(9,10)6-2-4-8/h1-8H2
InChIKeyCIPVVNJKCZVZBR-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.25
Rot. Bonds7

About 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine

3-(3-aminopropylsulfonylsulfanyl)propan-1-amine (PubChem CID 88671556) has the molecular formula C6H16N2O2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-aminopropylsulfonylsulfanyl)propan-1-amine
PubChem CID88671556
Molecular FormulaC6H16N2O2S2
Molecular Weight212.34 g/mol
Exact Mass212.07
IUPAC Name3-(3-aminopropylsulfonylsulfanyl)propan-1-amine
SMILESNCCCSS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S2/c7-3-1-5-11-12(9,10)6-2-4-8/h1-8H2
InChIKeyCIPVVNJKCZVZBR-UHFFFAOYSA-N
XLogP-0.25
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine?
The IUPAC name of 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine (CID 88671556) is 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine is NCCCSS(=O)(=O)CCCN.
What is the InChIKey of 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine?
The InChIKey is CIPVVNJKCZVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S2/c7-3-1-5-11-12(9,10)6-2-4-8/h1-8H2.
What are the key properties of 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine?
3-(3-aminopropylsulfonylsulfanyl)propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfonylsulfanyl)propan-1-amine is sourced from PubChem (CID 88671556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).