1λ4-thia-2,3-diazacyclopenten-1-amine

C2H7N3S — CID 68809337

IUPAC1λ4-thia-2,3-diazacyclopenten-1-amine
SMILESNS1=NNCC1
InChIInChI=1S/C2H7N3S/c3-6-2-1-4-5-6/h4H,1-2H2,(H2,3,5)
InChIKeyMSYSXPAJRZCBEH-UHFFFAOYSA-N
MW105.17 g/mol
LogP-0.82
Rot. Bonds

About 1λ4-thia-2,3-diazacyclopenten-1-amine

1λ4-thia-2,3-diazacyclopenten-1-amine (PubChem CID 68809337) has the molecular formula C2H7N3S and a molecular weight of 105.17 g/mol. Its IUPAC name is 1λ4-thia-2,3-diazacyclopenten-1-amine.

Molecular Properties

Compound Name1λ4-thia-2,3-diazacyclopenten-1-amine
PubChem CID68809337
Molecular FormulaC2H7N3S
Molecular Weight105.17 g/mol
Exact Mass105.04
IUPAC Name1λ4-thia-2,3-diazacyclopenten-1-amine
SMILESNS1=NNCC1
InChIInChI=1S/C2H7N3S/c3-6-2-1-4-5-6/h4H,1-2H2,(H2,3,5)
InChIKeyMSYSXPAJRZCBEH-UHFFFAOYSA-N
XLogP-0.82
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1λ4-thia-2,3-diazacyclopenten-1-amine?
The IUPAC name of 1λ4-thia-2,3-diazacyclopenten-1-amine (CID 68809337) is 1λ4-thia-2,3-diazacyclopenten-1-amine.
What is the SMILES notation for 1λ4-thia-2,3-diazacyclopenten-1-amine?
The canonical SMILES for 1λ4-thia-2,3-diazacyclopenten-1-amine is NS1=NNCC1.
What is the InChIKey of 1λ4-thia-2,3-diazacyclopenten-1-amine?
The InChIKey is MSYSXPAJRZCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3S/c3-6-2-1-4-5-6/h4H,1-2H2,(H2,3,5).
What are the key properties of 1λ4-thia-2,3-diazacyclopenten-1-amine?
1λ4-thia-2,3-diazacyclopenten-1-amine has a molecular weight of 105.17 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ4-thia-2,3-diazacyclopenten-1-amine is sourced from PubChem (CID 68809337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).