N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine

C10H18N2S — CID 166678864

IUPACN-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine
SMILESC=N/C(=C\N(C)C(C)C)C1(C)CS1
InChIInChI=1S/C10H18N2S/c1-8(2)12(5)6-9(11-4)10(3)7-13-10/h6,8H,4,7H2,1-3,5H3/b9-6-
InChIKeyKSSJIABZUQBUEF-TWGQIWQCSA-N
MW198.33 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine

N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine (PubChem CID 166678864) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine
PubChem CID166678864
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine
SMILESC=N/C(=C\N(C)C(C)C)C1(C)CS1
InChIInChI=1S/C10H18N2S/c1-8(2)12(5)6-9(11-4)10(3)7-13-10/h6,8H,4,7H2,1-3,5H3/b9-6-
InChIKeyKSSJIABZUQBUEF-TWGQIWQCSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-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 N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine?
The IUPAC name of N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine (CID 166678864) is N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine is C=N/C(=C\N(C)C(C)C)C1(C)CS1.
What is the InChIKey of N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine?
The InChIKey is KSSJIABZUQBUEF-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)12(5)6-9(11-4)10(3)7-13-10/h6,8H,4,7H2,1-3,5H3/b9-6-.
What are the key properties of N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine?
N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine is sourced from PubChem (CID 166678864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).