2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine

C10H20N2S — CID 103071324

IUPAC2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCSC(C)C1C
InChIInChI=1S/C10H20N2S/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7,11H2,2-3H3
InChIKeyVJSKFTDOXUONKK-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.33
Rot. Bonds3

About 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine

2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103071324) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103071324
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCSC(C)C1C
InChIInChI=1S/C10H20N2S/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7,11H2,2-3H3
InChIKeyVJSKFTDOXUONKK-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.33
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-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine
CID 63982728
2,2-Dimethyl-3-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 64054635
N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 66421328
1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine
CID 75369939
N-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 81811491
N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 81811510
N-ethyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 81811727
N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)propan-2-amine
CID 81812298
2-methyl-N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)propan-2-amine
CID 81812514
N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 82915654
2-[2-(diethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
CID 103068646
2-[2-(diethylamino)ethylsulfanylmethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068647

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (CID 103071324) is 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is C=C(CN)CN1CCSC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is VJSKFTDOXUONKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7,11H2,2-3H3.
What are the key properties of 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).