N-(disulfanyl)oxan-4-amine

C5H11NOS2 — CID 155379270

IUPACN-(disulfanyl)oxan-4-amine
SMILESSSNC1CCOCC1
InChIInChI=1S/C5H11NOS2/c8-9-6-5-1-3-7-4-2-5/h5-6,8H,1-4H2
InChIKeyGNZJTJOGMCFQIE-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.25
Rot. Bonds2

About N-(disulfanyl)oxan-4-amine

N-(disulfanyl)oxan-4-amine (PubChem CID 155379270) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(disulfanyl)oxan-4-amine.

Molecular Properties

Compound NameN-(disulfanyl)oxan-4-amine
PubChem CID155379270
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC NameN-(disulfanyl)oxan-4-amine
SMILESSSNC1CCOCC1
InChIInChI=1S/C5H11NOS2/c8-9-6-5-1-3-7-4-2-5/h5-6,8H,1-4H2
InChIKeyGNZJTJOGMCFQIE-UHFFFAOYSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)oxan-4-amine?
The IUPAC name of N-(disulfanyl)oxan-4-amine (CID 155379270) is N-(disulfanyl)oxan-4-amine.
What is the SMILES notation for N-(disulfanyl)oxan-4-amine?
The canonical SMILES for N-(disulfanyl)oxan-4-amine is SSNC1CCOCC1.
What is the InChIKey of N-(disulfanyl)oxan-4-amine?
The InChIKey is GNZJTJOGMCFQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS2/c8-9-6-5-1-3-7-4-2-5/h5-6,8H,1-4H2.
What are the key properties of N-(disulfanyl)oxan-4-amine?
N-(disulfanyl)oxan-4-amine has a molecular weight of 165.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)oxan-4-amine is sourced from PubChem (CID 155379270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).