N-[2-(disulfanyl)ethyl]propan-1-amine

C5H13NS2 — CID 20501456

IUPACN-[2-(disulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSS
InChIInChI=1S/C5H13NS2/c1-2-3-6-4-5-8-7/h6-7H,2-5H2,1H3
InChIKeyBNVHVPWWZBCREW-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(disulfanyl)ethyl]propan-1-amine

N-[2-(disulfanyl)ethyl]propan-1-amine (PubChem CID 20501456) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is N-[2-(disulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(disulfanyl)ethyl]propan-1-amine
PubChem CID20501456
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC NameN-[2-(disulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSS
InChIInChI=1S/C5H13NS2/c1-2-3-6-4-5-8-7/h6-7H,2-5H2,1H3
InChIKeyBNVHVPWWZBCREW-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(disulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(disulfanyl)ethyl]propan-1-amine (CID 20501456) is N-[2-(disulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(disulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(disulfanyl)ethyl]propan-1-amine is CCCNCCSS.
What is the InChIKey of N-[2-(disulfanyl)ethyl]propan-1-amine?
The InChIKey is BNVHVPWWZBCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-2-3-6-4-5-8-7/h6-7H,2-5H2,1H3.
What are the key properties of N-[2-(disulfanyl)ethyl]propan-1-amine?
N-[2-(disulfanyl)ethyl]propan-1-amine has a molecular weight of 151.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(disulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 20501456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).