1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine

C10H20N2S — CID 130727910

IUPAC1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
SMILESCN1CC(NCC2(C)CCCS2)C1
InChIInChI=1S/C10H20N2S/c1-10(4-3-5-13-10)8-11-9-6-12(2)7-9/h9,11H,3-8H2,1-2H3
InChIKeyUPBDVKRPCKTTAF-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds3

About 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine

1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine (PubChem CID 130727910) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
PubChem CID130727910
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
SMILESCN1CC(NCC2(C)CCCS2)C1
InChIInChI=1S/C10H20N2S/c1-10(4-3-5-13-10)8-11-9-6-12(2)7-9/h9,11H,3-8H2,1-2H3
InChIKeyUPBDVKRPCKTTAF-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine (CID 130727910) is 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine is CN1CC(NCC2(C)CCCS2)C1.
What is the InChIKey of 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine?
The InChIKey is UPBDVKRPCKTTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-10(4-3-5-13-10)8-11-9-6-12(2)7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine?
1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 130727910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).