N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine

C9H18N2S — CID 103069163

IUPACN-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CN1CCSCC1
InChIInChI=1S/C9H18N2S/c1-9(7-10-2)8-11-3-5-12-6-4-11/h10H,1,3-8H2,2H3
InChIKeyNJTLTBXEGBOZMT-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine

N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 103069163) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
PubChem CID103069163
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CN1CCSCC1
InChIInChI=1S/C9H18N2S/c1-9(7-10-2)8-11-3-5-12-6-4-11/h10H,1,3-8H2,2H3
InChIKeyNJTLTBXEGBOZMT-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-(2-Methyl-3-methylsulfanylprop-2-enyl)piperazine
CID 123637088
N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 66421328
N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 82915654
(4-Prop-2-enylthiomorpholin-2-yl)methanamine
CID 84109355
2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068645
2-[2-(diethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
CID 103068646
2-[2-(diethylamino)ethylsulfanylmethyl]-N-ethylprop-2-en-1-amine
CID 103068650
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068677
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
CID 103068678
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-ethylprop-2-en-1-amine
CID 103068682
N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069164
N-ethyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069165

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (CID 103069163) is N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is C=C(CNC)CN1CCSCC1.
What is the InChIKey of N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is NJTLTBXEGBOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-9(7-10-2)8-11-3-5-12-6-4-11/h10H,1,3-8H2,2H3.
What are the key properties of N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103069163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).