2-methylidenethiolan-3-amine

C5H9NS — CID 89104278

IUPAC2-methylidenethiolan-3-amine
SMILESC=C1SCCC1N
InChIInChI=1S/C5H9NS/c1-4-5(6)2-3-7-4/h5H,1-3,6H2
InChIKeyDGUHYFSECQZOTI-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.96
Rot. Bonds

About 2-methylidenethiolan-3-amine

2-methylidenethiolan-3-amine (PubChem CID 89104278) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-methylidenethiolan-3-amine.

Molecular Properties

Compound Name2-methylidenethiolan-3-amine
PubChem CID89104278
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-methylidenethiolan-3-amine
SMILESC=C1SCCC1N
InChIInChI=1S/C5H9NS/c1-4-5(6)2-3-7-4/h5H,1-3,6H2
InChIKeyDGUHYFSECQZOTI-UHFFFAOYSA-N
XLogP0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenethiolan-3-amine?
The IUPAC name of 2-methylidenethiolan-3-amine (CID 89104278) is 2-methylidenethiolan-3-amine.
What is the SMILES notation for 2-methylidenethiolan-3-amine?
The canonical SMILES for 2-methylidenethiolan-3-amine is C=C1SCCC1N.
What is the InChIKey of 2-methylidenethiolan-3-amine?
The InChIKey is DGUHYFSECQZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(6)2-3-7-4/h5H,1-3,6H2.
What are the key properties of 2-methylidenethiolan-3-amine?
2-methylidenethiolan-3-amine has a molecular weight of 115.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenethiolan-3-amine is sourced from PubChem (CID 89104278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).