2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine

C9H18N2S — CID 84770189

IUPAC2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine
SMILESNCC(C1CCSC1)N1CCC1
InChIInChI=1S/C9H18N2S/c10-6-9(11-3-1-4-11)8-2-5-12-7-8/h8-9H,1-7,10H2
InChIKeyPAAMWROYAPDHJS-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.77
Rot. Bonds3

About 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine

2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine (PubChem CID 84770189) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine
PubChem CID84770189
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine
SMILESNCC(C1CCSC1)N1CCC1
InChIInChI=1S/C9H18N2S/c10-6-9(11-3-1-4-11)8-2-5-12-7-8/h8-9H,1-7,10H2
InChIKeyPAAMWROYAPDHJS-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
2-(Thiolan-3-yl)piperazine
CID 131967174
2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43207883
3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43207984
3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296423
2-N,3-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
CID 43296424
2-N,4-dimethyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296425
1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296805
1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
CID 43296809
1-N,4-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296810
2-N,3-dimethyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43312493
1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 43655050

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine (CID 84770189) is 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine is NCC(C1CCSC1)N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is PAAMWROYAPDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-6-9(11-3-1-4-11)8-2-5-12-7-8/h8-9H,1-7,10H2.
What are the key properties of 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine?
2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 186.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 84770189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).