3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine

C9H18N2S — CID 84732816

IUPAC3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine
SMILESNC1(CCN2CCC2)CCSC1
InChIInChI=1S/C9H18N2S/c10-9(3-7-12-8-9)2-6-11-4-1-5-11/h1-8,10H2
InChIKeyILJNPOSVBUMPKA-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine

3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine (PubChem CID 84732816) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine
PubChem CID84732816
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine
SMILESNC1(CCN2CCC2)CCSC1
InChIInChI=1S/C9H18N2S/c10-9(3-7-12-8-9)2-6-11-4-1-5-11/h1-8,10H2
InChIKeyILJNPOSVBUMPKA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Thia-1-azaspiro[3.4]octane
CID 83678915
2-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
N-[2-(1-aminocyclobutyl)ethyl]-N-methylthiolan-3-amine
CID 79842264
3-(Azetidin-1-ylmethyl)thiolan-3-amine
CID 84731991
3-[2-(Dimethylamino)ethyl]thiolan-3-amine
CID 84732055
4-[2-(Azetidin-1-yl)ethyl]thian-4-amine
CID 84733794
3-[2-(Azetidin-1-yl)ethyl]thian-3-amine
CID 84733796
3-(2-Pyrrolidin-1-ylethyl)thiolan-3-amine
CID 84733799
4-(2-Pyrrolidin-1-ylethyl)thian-4-amine
CID 84734873
3-(2-Piperidin-1-ylethyl)thiolan-3-amine
CID 84734877
2-(Azetidin-1-yl)-2-(thiolan-3-yl)ethanamine
CID 84770189
[3-(Azetidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 126980491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine (CID 84732816) is 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine is NC1(CCN2CCC2)CCSC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine?
The InChIKey is ILJNPOSVBUMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-9(3-7-12-8-9)2-6-11-4-1-5-11/h1-8,10H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine?
3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 84732816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).