(2E)-2-(thiolan-2-ylidene)ethanamine

C6H11NS — CID 14045338

IUPAC(2E)-2-(thiolan-2-ylidene)ethanamine
SMILESNC/C=C1\CCCS1
InChIInChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h3H,1-2,4-5,7H2/b6-3+
InChIKeyDCBZRYLWADAOSP-ZZXKWVIFSA-N
MW129.23 g/mol
LogP1.36
Rot. Bonds1

About (2E)-2-(thiolan-2-ylidene)ethanamine

(2E)-2-(thiolan-2-ylidene)ethanamine (PubChem CID 14045338) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (2E)-2-(thiolan-2-ylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(thiolan-2-ylidene)ethanamine
PubChem CID14045338
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(2E)-2-(thiolan-2-ylidene)ethanamine
SMILESNC/C=C1\CCCS1
InChIInChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h3H,1-2,4-5,7H2/b6-3+
InChIKeyDCBZRYLWADAOSP-ZZXKWVIFSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(thiolan-2-ylidene)ethanamine?
The IUPAC name of (2E)-2-(thiolan-2-ylidene)ethanamine (CID 14045338) is (2E)-2-(thiolan-2-ylidene)ethanamine.
What is the SMILES notation for (2E)-2-(thiolan-2-ylidene)ethanamine?
The canonical SMILES for (2E)-2-(thiolan-2-ylidene)ethanamine is NC/C=C1\CCCS1.
What is the InChIKey of (2E)-2-(thiolan-2-ylidene)ethanamine?
The InChIKey is DCBZRYLWADAOSP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h3H,1-2,4-5,7H2/b6-3+.
What are the key properties of (2E)-2-(thiolan-2-ylidene)ethanamine?
(2E)-2-(thiolan-2-ylidene)ethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiolan-2-ylidene)ethanamine is sourced from PubChem (CID 14045338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).