methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate

C11H21N3OS — CID 170040063

IUPACmethyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate
SMILESC=C(N/C(=N/C(C)C)SC)N1CCOCC1
InChIInChI=1S/C11H21N3OS/c1-9(2)12-11(16-4)13-10(3)14-5-7-15-8-6-14/h9H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyXGWAJRKHXFFRPZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.51
Rot. Bonds3

About methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate

methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate (PubChem CID 170040063) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate
PubChem CID170040063
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Namemethyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate
SMILESC=C(N/C(=N/C(C)C)SC)N1CCOCC1
InChIInChI=1S/C11H21N3OS/c1-9(2)12-11(16-4)13-10(3)14-5-7-15-8-6-14/h9H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyXGWAJRKHXFFRPZ-UHFFFAOYSA-N
XLogP1.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl morpholine-4-carboximidothioate
CID 8006837
methyl morpholine-4-carbodithioate
CID 5043631
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
CID 134986244
4-(2,4-dimethylpent-2-en-3-yl)morpholine
CID 5100912
methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
CID 88729252
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N,N-dimethyl-1-morpholin-4-ylethenamine
CID 142039322
methyl morpholine-4-carboxylate
CID 12575354
N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 115640219
methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
CID 15746494

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate?
The IUPAC name of methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate (CID 170040063) is methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate.
What is the SMILES notation for methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate?
The canonical SMILES for methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate is C=C(N/C(=N/C(C)C)SC)N1CCOCC1.
What is the InChIKey of methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate?
The InChIKey is XGWAJRKHXFFRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)12-11(16-4)13-10(3)14-5-7-15-8-6-14/h9H,3,5-8H2,1-2,4H3,(H,12,13).
What are the key properties of methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate?
methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate has a molecular weight of 243.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate is sourced from PubChem (CID 170040063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).