1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea

C10H19N3O2S2 — CID 3703266

IUPAC1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C1CCS(=O)(=O)C1)N(C)C
InChIInChI=1S/C10H19N3O2S2/c1-4-6-11-10(16)13(12(2)3)9-5-7-17(14,15)8-9/h4,9H,1,5-8H2,2-3H3,(H,11,16)
InChIKeyYLGZSTSCXPXLBQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.01
Rot. Bonds4

About 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea

1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea (PubChem CID 3703266) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea
PubChem CID3703266
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C1CCS(=O)(=O)C1)N(C)C
InChIInChI=1S/C10H19N3O2S2/c1-4-6-11-10(16)13(12(2)3)9-5-7-17(14,15)8-9/h4,9H,1,5-8H2,2-3H3,(H,11,16)
InChIKeyYLGZSTSCXPXLBQ-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-diallyl-N-(1,1-dioxidotetrahydro-3-thienyl)thiourea
CID 2906039
3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
CID 2905929
N-allyl-N'-(3-methyl-1,1-dioxidotetrahydrothien-3-yl)thiourea
CID 3617448
3-{Butyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
CID 3619233
1-(Dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-(3-methylsulfanylpropyl)thiourea
CID 16275932
1-(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-3-(1,1-dioxothiolan-3-yl)thiourea
CID 3473238
3-Methyl-3-{methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
CID 3501839
1-[2-[2-[(1,1-Dioxothiolan-3-yl)amino]ethylamino]ethyl]-3-prop-2-enylthiourea
CID 3759681
1-Butan-2-yl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)thiourea
CID 3780631
1-(Dimethylamino)-3-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)thiourea
CID 3785103
3-(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-ethylthiourea
CID 3789184
3-(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-methylthiourea
CID 3791486

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea (CID 3703266) is 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea is C=CCNC(=S)N(C1CCS(=O)(=O)C1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea?
The InChIKey is YLGZSTSCXPXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-4-6-11-10(16)13(12(2)3)9-5-7-17(14,15)8-9/h4,9H,1,5-8H2,2-3H3,(H,11,16).
What are the key properties of 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea?
1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea has a molecular weight of 277.41 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(1,1-dioxothiolan-3-yl)-3-prop-2-enylthiourea is sourced from PubChem (CID 3703266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).