[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine

C9H18N2S — CID 126980491

IUPAC[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCC1SCCC1(CN)N1CCC1
InChIInChI=1S/C9H18N2S/c1-8-9(7-10,3-6-12-8)11-4-2-5-11/h8H,2-7,10H2,1H3
InChIKeyBFDFGTVFUBOEBU-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds2

About [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine

[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine (PubChem CID 126980491) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine
PubChem CID126980491
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCC1SCCC1(CN)N1CCC1
InChIInChI=1S/C9H18N2S/c1-8-9(7-10,3-6-12-8)11-4-2-5-11/h8H,2-7,10H2,1H3
InChIKeyBFDFGTVFUBOEBU-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-dimethylthiolan-3-amine
CID 2779827
1-[3-(Thietan-2-yl)azetidin-3-yl]pyrrolidine
CID 130235695
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932629
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
3-(aminomethyl)-N-butyl-N-ethylthiolan-3-amine
CID 24697263
3-(aminomethyl)-N,N-dipropylthiolan-3-amine
CID 24705226
3-(aminomethyl)-N,N-diethylthiolan-3-amine
CID 24705648
3-(aminomethyl)-N-butyl-N-methylthiolan-3-amine
CID 24707677
3-(aminomethyl)-N,N-dibutylthiolan-3-amine
CID 43125890

Frequently Asked Questions

What is the IUPAC name of [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine (CID 126980491) is [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine is CC1SCCC1(CN)N1CCC1.
What is the InChIKey of [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The InChIKey is BFDFGTVFUBOEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-9(7-10,3-6-12-8)11-4-2-5-11/h8H,2-7,10H2,1H3.
What are the key properties of [3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine?
[3-(azetidin-1-yl)-2-methylthiolan-3-yl]methanamine 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-yl)-2-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 126980491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).