1-methylsulfanylcyclopropan-1-amine

C4H9NS — CID 117035876

IUPAC1-methylsulfanylcyclopropan-1-amine
SMILESCSC1(N)CC1
InChIInChI=1S/C4H9NS/c1-6-4(5)2-3-4/h2-3,5H2,1H3
InChIKeyQFJQXZUTJLEVBV-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.80
Rot. Bonds1

About 1-methylsulfanylcyclopropan-1-amine

1-methylsulfanylcyclopropan-1-amine (PubChem CID 117035876) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 1-methylsulfanylcyclopropan-1-amine.

Molecular Properties

Compound Name1-methylsulfanylcyclopropan-1-amine
PubChem CID117035876
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name1-methylsulfanylcyclopropan-1-amine
SMILESCSC1(N)CC1
InChIInChI=1S/C4H9NS/c1-6-4(5)2-3-4/h2-3,5H2,1H3
InChIKeyQFJQXZUTJLEVBV-UHFFFAOYSA-N
XLogP0.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopropan-1-amine?
The IUPAC name of 1-methylsulfanylcyclopropan-1-amine (CID 117035876) is 1-methylsulfanylcyclopropan-1-amine.
What is the SMILES notation for 1-methylsulfanylcyclopropan-1-amine?
The canonical SMILES for 1-methylsulfanylcyclopropan-1-amine is CSC1(N)CC1.
What is the InChIKey of 1-methylsulfanylcyclopropan-1-amine?
The InChIKey is QFJQXZUTJLEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-6-4(5)2-3-4/h2-3,5H2,1H3.
What are the key properties of 1-methylsulfanylcyclopropan-1-amine?
1-methylsulfanylcyclopropan-1-amine has a molecular weight of 103.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopropan-1-amine is sourced from PubChem (CID 117035876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).