N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

C11H18N4O3S — CID 43290764

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N4O3S/c1-11(2)9(17)15(10(18)13-11)6-8(16)14(3)5-4-7(12)19/h4-6H2,1-3H3,(H2,12,19)(H,13,18)
InChIKeyGUXVAGSMHRLMHD-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.55
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (PubChem CID 43290764) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
PubChem CID43290764
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N4O3S/c1-11(2)9(17)15(10(18)13-11)6-8(16)14(3)5-4-7(12)19/h4-6H2,1-3H3,(H2,12,19)(H,13,18)
InChIKeyGUXVAGSMHRLMHD-UHFFFAOYSA-N
XLogP-0.55
TPSA95.74 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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-methylacetamide
CID 63596319
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759939
3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-methylamino]propanoic acid
CID 119362736
methyl 3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]propanoate
CID 61009768
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 124613840
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55883584
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
N-(3-amino-3-sulfanylidenepropyl)-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-methylpropanamide
CID 64834739
2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60827223
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (CID 43290764) is N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is CN(CCC(N)=S)C(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is GUXVAGSMHRLMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2)9(17)15(10(18)13-11)6-8(16)14(3)5-4-7(12)19/h4-6H2,1-3H3,(H2,12,19)(H,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 286.36 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).