3-(azetidin-1-ylmethyl)thian-3-amine

C9H18N2S — CID 84732814

IUPAC3-(azetidin-1-ylmethyl)thian-3-amine
SMILESNC1(CN2CCC2)CCCSC1
InChIInChI=1S/C9H18N2S/c10-9(3-1-6-12-8-9)7-11-4-2-5-11/h1-8,10H2
InChIKeyBEZXSIYPIQFBJQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)thian-3-amine

3-(azetidin-1-ylmethyl)thian-3-amine (PubChem CID 84732814) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)thian-3-amine
PubChem CID84732814
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-(azetidin-1-ylmethyl)thian-3-amine
SMILESNC1(CN2CCC2)CCCSC1
InChIInChI=1S/C9H18N2S/c10-9(3-1-6-12-8-9)7-11-4-2-5-11/h1-8,10H2
InChIKeyBEZXSIYPIQFBJQ-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

3-(aminomethyl)-N,N-dibutylthian-3-amine
CID 55129741
3-(aminomethyl)-N-pentyl-N-propan-2-ylthian-3-amine
CID 55129974
2-Methyl-1-thiomorpholin-4-ylpentan-2-amine
CID 60852437
3-(aminomethyl)-N,N-diethylthian-3-amine
CID 62870950
3-(aminomethyl)-N-ethyl-N-methylthian-3-amine
CID 62870956
3-(aminomethyl)-N-ethyl-N-propan-2-ylthian-3-amine
CID 62871127
3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine
CID 62871132
3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine
CID 62871305
3-(aminomethyl)-N-ethyl-N-propylthian-3-amine
CID 62871308
3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
CID 62871309
3-(aminomethyl)-N-methyl-N-propylthian-3-amine
CID 62871311
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)thian-3-amine
CID 62871483

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)thian-3-amine?
The IUPAC name of 3-(azetidin-1-ylmethyl)thian-3-amine (CID 84732814) is 3-(azetidin-1-ylmethyl)thian-3-amine.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)thian-3-amine?
The canonical SMILES for 3-(azetidin-1-ylmethyl)thian-3-amine is NC1(CN2CCC2)CCCSC1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)thian-3-amine?
The InChIKey is BEZXSIYPIQFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-9(3-1-6-12-8-9)7-11-4-2-5-11/h1-8,10H2.
What are the key properties of 3-(azetidin-1-ylmethyl)thian-3-amine?
3-(azetidin-1-ylmethyl)thian-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)thian-3-amine is sourced from PubChem (CID 84732814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).