3-aminocyclobutane-1-thiol

C4H9NS — CID 123213773

IUPAC3-aminocyclobutane-1-thiol
SMILESNC1CC(S)C1
InChIInChI=1S/C4H9NS/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2
InChIKeyXZCDRQNSHOOVSR-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.41
Rot. Bonds

About 3-aminocyclobutane-1-thiol

3-aminocyclobutane-1-thiol (PubChem CID 123213773) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 3-aminocyclobutane-1-thiol.

Molecular Properties

Compound Name3-aminocyclobutane-1-thiol
PubChem CID123213773
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name3-aminocyclobutane-1-thiol
SMILESNC1CC(S)C1
InChIInChI=1S/C4H9NS/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2
InChIKeyXZCDRQNSHOOVSR-UHFFFAOYSA-N
XLogP0.41
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclobutane-1-thiol?
The IUPAC name of 3-aminocyclobutane-1-thiol (CID 123213773) is 3-aminocyclobutane-1-thiol.
What is the SMILES notation for 3-aminocyclobutane-1-thiol?
The canonical SMILES for 3-aminocyclobutane-1-thiol is NC1CC(S)C1.
What is the InChIKey of 3-aminocyclobutane-1-thiol?
The InChIKey is XZCDRQNSHOOVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2.
What are the key properties of 3-aminocyclobutane-1-thiol?
3-aminocyclobutane-1-thiol has a molecular weight of 103.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclobutane-1-thiol is sourced from PubChem (CID 123213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).