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

C10H20N2S — CID 103071301

IUPACN-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCSC(C)C1
InChIInChI=1S/C10H20N2S/c1-9(6-11-3)7-12-4-5-13-10(2)8-12/h10-11H,1,4-8H2,2-3H3
InChIKeyIYTNBISZHSUOES-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds4

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

N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103071301) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103071301
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCSC(C)C1
InChIInChI=1S/C10H20N2S/c1-9(6-11-3)7-12-4-5-13-10(2)8-12/h10-11H,1,4-8H2,2-3H3
InChIKeyIYTNBISZHSUOES-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.20
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-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (CID 103071301) is N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is C=C(CNC)CN1CCSC(C)C1.
What is the InChIKey of N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is IYTNBISZHSUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(6-11-3)7-12-4-5-13-10(2)8-12/h10-11H,1,4-8H2,2-3H3.
What are the key properties of N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).