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

C10H20N2S — CID 106325435

IUPAC2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESC=C(C)CNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h11H,1,3-9H2,2H3
InChIKeyXWODCWKRODPSNQ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds5

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

2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (PubChem CID 106325435) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
PubChem CID106325435
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESC=C(C)CNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h11H,1,3-9H2,2H3
InChIKeyXWODCWKRODPSNQ-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole
CID 138756773
1-(2-Tert-butylsulfanylethyl)piperazine
CID 58842925
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
1-(2-Methyl-3-methylsulfanylprop-2-enyl)piperazine
CID 123637088
1-(2,3-Dihydrothiophen-4-ylmethyl)piperazine
CID 141820138
N'-(2,3-dihydro-1,4-dithiin-5-ylmethyl)-N-methylethane-1,2-diamine
CID 174292869
Propyl[2-(thiomorpholin-4-yl)ethyl]amine
CID 61386576
2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
CID 62417122
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 64117275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (CID 106325435) is 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is C=C(C)CNCCN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The InChIKey is XWODCWKRODPSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h11H,1,3-9H2,2H3.
What are the key properties of 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 106325435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).