1-cyclopropyl-N-(disulfanyl)methanamine

C4H9NS2 — CID 167203746

IUPAC1-cyclopropyl-N-(disulfanyl)methanamine
SMILESSSNCC1CC1
InChIInChI=1S/C4H9NS2/c6-7-5-3-4-1-2-4/h4-6H,1-3H2
InChIKeyCVYHWEFGXLSHCQ-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.48
Rot. Bonds3

About 1-cyclopropyl-N-(disulfanyl)methanamine

1-cyclopropyl-N-(disulfanyl)methanamine (PubChem CID 167203746) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(disulfanyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(disulfanyl)methanamine
PubChem CID167203746
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Name1-cyclopropyl-N-(disulfanyl)methanamine
SMILESSSNCC1CC1
InChIInChI=1S/C4H9NS2/c6-7-5-3-4-1-2-4/h4-6H,1-3H2
InChIKeyCVYHWEFGXLSHCQ-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-N-(disulfanyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(disulfanyl)methanamine (CID 167203746) is 1-cyclopropyl-N-(disulfanyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(disulfanyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(disulfanyl)methanamine is SSNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(disulfanyl)methanamine?
The InChIKey is CVYHWEFGXLSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c6-7-5-3-4-1-2-4/h4-6H,1-3H2.
What are the key properties of 1-cyclopropyl-N-(disulfanyl)methanamine?
1-cyclopropyl-N-(disulfanyl)methanamine has a molecular weight of 135.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(disulfanyl)methanamine is sourced from PubChem (CID 167203746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).