N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine

C9H18N2S — CID 106444739

IUPACN-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
SMILESC=CC(NC)C1CSCCN1C
InChIInChI=1S/C9H18N2S/c1-4-8(10-2)9-7-12-6-5-11(9)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyYFVPJYPYQHCDAE-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine

N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine (PubChem CID 106444739) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
PubChem CID106444739
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
SMILESC=CC(NC)C1CSCCN1C
InChIInChI=1S/C9H18N2S/c1-4-8(10-2)9-7-12-6-5-11(9)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyYFVPJYPYQHCDAE-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine (CID 106444739) is N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine is C=CC(NC)C1CSCCN1C.
What is the InChIKey of N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The InChIKey is YFVPJYPYQHCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-8(10-2)9-7-12-6-5-11(9)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 106444739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).