N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine

C8H18N2S — CID 178115894

IUPACN,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
SMILESCN(C)CCC1(C)CN(S)C1
InChIInChI=1S/C8H18N2S/c1-8(4-5-9(2)3)6-10(11)7-8/h11H,4-7H2,1-3H3
InChIKeyHDIXMYISMHOBCG-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.10
Rot. Bonds3

About N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine

N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine (PubChem CID 178115894) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
PubChem CID178115894
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
SMILESCN(C)CCC1(C)CN(S)C1
InChIInChI=1S/C8H18N2S/c1-8(4-5-9(2)3)6-10(11)7-8/h11H,4-7H2,1-3H3
InChIKeyHDIXMYISMHOBCG-UHFFFAOYSA-N
XLogP1.10
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine 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 N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine (CID 178115894) is N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine is CN(C)CCC1(C)CN(S)C1.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine?
The InChIKey is HDIXMYISMHOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(4-5-9(2)3)6-10(11)7-8/h11H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine?
N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine has a molecular weight of 174.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine is sourced from PubChem (CID 178115894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).