4-methylthiolan-3-amine

C5H11NS — CID 55284308

IUPAC4-methylthiolan-3-amine
SMILESCC1CSCC1N
InChIInChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyKIMYQDGXIBABDJ-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.70
Rot. Bonds

About 4-methylthiolan-3-amine

4-methylthiolan-3-amine (PubChem CID 55284308) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 4-methylthiolan-3-amine.

Molecular Properties

Compound Name4-methylthiolan-3-amine
PubChem CID55284308
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name4-methylthiolan-3-amine
SMILESCC1CSCC1N
InChIInChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyKIMYQDGXIBABDJ-UHFFFAOYSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiolan-3-amine?
The IUPAC name of 4-methylthiolan-3-amine (CID 55284308) is 4-methylthiolan-3-amine.
What is the SMILES notation for 4-methylthiolan-3-amine?
The canonical SMILES for 4-methylthiolan-3-amine is CC1CSCC1N.
What is the InChIKey of 4-methylthiolan-3-amine?
The InChIKey is KIMYQDGXIBABDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-methylthiolan-3-amine?
4-methylthiolan-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiolan-3-amine is sourced from PubChem (CID 55284308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).