[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine

C9H20N2S — CID 84661694

IUPAC[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
SMILESCC(C)SCCN1CCC1CN
InChIInChI=1S/C9H20N2S/c1-8(2)12-6-5-11-4-3-9(11)7-10/h8-9H,3-7,10H2,1-2H3
InChIKeyLSIQUEWVMPPXLN-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds5

About [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine

[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine (PubChem CID 84661694) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
PubChem CID84661694
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
SMILESCC(C)SCCN1CCC1CN
InChIInChI=1S/C9H20N2S/c1-8(2)12-6-5-11-4-3-9(11)7-10/h8-9H,3-7,10H2,1-2H3
InChIKeyLSIQUEWVMPPXLN-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine?
The IUPAC name of [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine (CID 84661694) is [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine?
The canonical SMILES for [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine is CC(C)SCCN1CCC1CN.
What is the InChIKey of [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine?
The InChIKey is LSIQUEWVMPPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)12-6-5-11-4-3-9(11)7-10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine?
[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 84661694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).