1,5-thiazocan-5-amine

C6H14N2S — CID 172577106

IUPAC1,5-thiazocan-5-amine
SMILESNN1CCCSCCC1
InChIInChI=1S/C6H14N2S/c7-8-3-1-5-9-6-2-4-8/h1-7H2
InChIKeyRIRCVIAKBPDCCL-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.69
Rot. Bonds

About 1,5-thiazocan-5-amine

1,5-thiazocan-5-amine (PubChem CID 172577106) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 1,5-thiazocan-5-amine.

Molecular Properties

Compound Name1,5-thiazocan-5-amine
PubChem CID172577106
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name1,5-thiazocan-5-amine
SMILESNN1CCCSCCC1
InChIInChI=1S/C6H14N2S/c7-8-3-1-5-9-6-2-4-8/h1-7H2
InChIKeyRIRCVIAKBPDCCL-UHFFFAOYSA-N
XLogP0.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-thiazocan-5-amine?
The IUPAC name of 1,5-thiazocan-5-amine (CID 172577106) is 1,5-thiazocan-5-amine.
What is the SMILES notation for 1,5-thiazocan-5-amine?
The canonical SMILES for 1,5-thiazocan-5-amine is NN1CCCSCCC1.
What is the InChIKey of 1,5-thiazocan-5-amine?
The InChIKey is RIRCVIAKBPDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c7-8-3-1-5-9-6-2-4-8/h1-7H2.
What are the key properties of 1,5-thiazocan-5-amine?
1,5-thiazocan-5-amine has a molecular weight of 146.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-thiazocan-5-amine is sourced from PubChem (CID 172577106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).