1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea

C9H17N3OS — CID 3643594

IUPAC1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea
SMILESC=C(C)CNC(=S)NN1CCOCC1
InChIInChI=1S/C9H17N3OS/c1-8(2)7-10-9(14)11-12-3-5-13-6-4-12/h1,3-7H2,2H3,(H2,10,11,14)
InChIKeyZHCFXACVBMTZKB-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.27
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea

1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea (PubChem CID 3643594) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea
PubChem CID3643594
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea
SMILESC=C(C)CNC(=S)NN1CCOCC1
InChIInChI=1S/C9H17N3OS/c1-8(2)7-10-9(14)11-12-3-5-13-6-4-12/h1,3-7H2,2H3,(H2,10,11,14)
InChIKeyZHCFXACVBMTZKB-UHFFFAOYSA-N
XLogP0.27
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbut-3-enyl)morpholin-4-amine
CID 114472486
1-(2-methylprop-2-enyl)-3-[3-[4-[3-(2-methylprop-2-enylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
CID 3397220
N-(2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 75415321
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
CID 84598838
butyl N-morpholin-4-ylcarbamodithioate
CID 19832438
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide
CID 6946539
4-morpholin-4-yl-4-sulfanylidenebutan-2-one
CID 126484570
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
CID 2917531
1-[1-(1-adamantyl)ethyl]-3-morpholin-4-ylthiourea
CID 5105624

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea (CID 3643594) is 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea is C=C(C)CNC(=S)NN1CCOCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea?
The InChIKey is ZHCFXACVBMTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8(2)7-10-9(14)11-12-3-5-13-6-4-12/h1,3-7H2,2H3,(H2,10,11,14).
What are the key properties of 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea?
1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea has a molecular weight of 215.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 3643594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).