N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide

C9H14N4OS — CID 43290830

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccnc1
InChIInChI=1S/C9H14N4OS/c1-12(4-2-8(10)15)9(14)6-13-5-3-11-7-13/h3,5,7H,2,4,6H2,1H3,(H2,10,15)
InChIKeySVAMMQPMUJAJQQ-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.02
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide (PubChem CID 43290830) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide
PubChem CID43290830
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccnc1
InChIInChI=1S/C9H14N4OS/c1-12(4-2-8(10)15)9(14)6-13-5-3-11-7-13/h3,5,7H,2,4,6H2,1H3,(H2,10,15)
InChIKeySVAMMQPMUJAJQQ-UHFFFAOYSA-N
XLogP0.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide
CID 112753725
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
N-(3-amino-3-sulfanylidenepropyl)-2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide
CID 55064978
N-(3-amino-3-sulfanylidenepropyl)-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82693033
4-imidazol-1-ylbutanethioamide
CID 19417737
N-(3-amino-3-sulfanylidenepropyl)-2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylacetamide
CID 114395821
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 43290388
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 43290460
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 43290786
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 80581020
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide (CID 43290830) is N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide is CN(CCC(N)=S)C(=O)Cn1ccnc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is SVAMMQPMUJAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-12(4-2-8(10)15)9(14)6-13-5-3-11-7-13/h3,5,7H,2,4,6H2,1H3,(H2,10,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 226.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 43290830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).