prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate

C11H18N4O3S — CID 173453248

IUPACprop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate
SMILESC=CCOC(=NC(=O)N(C)C)NC(=O)NSCC=C
InChIInChI=1S/C11H18N4O3S/c1-5-7-18-10(13-11(17)15(3)4)12-9(16)14-19-8-6-2/h5-6H,1-2,7-8H2,3-4H3,(H2,12,13,14,16,17)
InChIKeyYGWPMGHEEXSWQR-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.36
Rot. Bonds5

About prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate

prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate (PubChem CID 173453248) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate.

Molecular Properties

Compound Nameprop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate
PubChem CID173453248
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Nameprop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate
SMILESC=CCOC(=NC(=O)N(C)C)NC(=O)NSCC=C
InChIInChI=1S/C11H18N4O3S/c1-5-7-18-10(13-11(17)15(3)4)12-9(16)14-19-8-6-2/h5-6H,1-2,7-8H2,3-4H3,(H2,12,13,14,16,17)
InChIKeyYGWPMGHEEXSWQR-UHFFFAOYSA-N
XLogP1.36
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-prop-2-enylsulfanylurea
CID 88804090
ethyl N-[bis(methylsulfanyl)carbamoyl]-N'-(dimethylcarbamoyl)carbamimidate
CID 173453323
butyl N'-(prop-2-enylsulfanylcarbamoyl)carbamimidate
CID 21441949
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
methylcarbamoyl-propan-2-yl-(C-prop-2-enoxycarbonimidoyl)-(prop-2-enylsulfanylcarbamoyl)azanium
CID 21442090
prop-2-enyl N'-[di(propan-2-yl)carbamoyl]carbamimidate
CID 21442393
prop-2-enyl (3S)-3-amino-4-(dimethylamino)-4-oxobutanoate
CID 167139878
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl 2-(dimethylcarbamoylimino)-1,3-benzothiazole-3-carboxylate
CID 54566471
prop-2-enyl 5-butylsulfanyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylate
CID 54192353
bis(prop-2-enyl) carbonate;ethene
CID 87465968
1-propan-2-yl-3-prop-2-enoxyurea
CID 131228005

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate?
The IUPAC name of prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate (CID 173453248) is prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate.
What is the SMILES notation for prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate?
The canonical SMILES for prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate is C=CCOC(=NC(=O)N(C)C)NC(=O)NSCC=C.
What is the InChIKey of prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate?
The InChIKey is YGWPMGHEEXSWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-5-7-18-10(13-11(17)15(3)4)12-9(16)14-19-8-6-2/h5-6H,1-2,7-8H2,3-4H3,(H2,12,13,14,16,17).
What are the key properties of prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate?
prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate has a molecular weight of 286.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-(dimethylcarbamoyl)-N-(prop-2-enylsulfanylcarbamoyl)carbamimidate is sourced from PubChem (CID 173453248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).