2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide

C10H18N4O2S2 — CID 62061405

IUPAC2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1cn(C)c(C)n1)C(N)=S
InChIInChI=1S/C10H18N4O2S2/c1-4-5-8(10(11)17)13-18(15,16)9-6-14(3)7(2)12-9/h6,8,13H,4-5H2,1-3H3,(H2,11,17)
InChIKeyKEQRDYFTISYZBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.46
Rot. Bonds6

About 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide

2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide (PubChem CID 62061405) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
PubChem CID62061405
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1cn(C)c(C)n1)C(N)=S
InChIInChI=1S/C10H18N4O2S2/c1-4-5-8(10(11)17)13-18(15,16)9-6-14(3)7(2)12-9/h6,8,13H,4-5H2,1-3H3,(H2,11,17)
InChIKeyKEQRDYFTISYZBN-UHFFFAOYSA-N
XLogP0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 55068751
5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
CID 62062966
N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 115752601
[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea
CID 65214168
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906609
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanethioamide
CID 55033194
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide?
The IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide (CID 62061405) is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide?
The canonical SMILES for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide is CCCC(NS(=O)(=O)c1cn(C)c(C)n1)C(N)=S.
What is the InChIKey of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide?
The InChIKey is KEQRDYFTISYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-4-5-8(10(11)17)13-18(15,16)9-6-14(3)7(2)12-9/h6,8,13H,4-5H2,1-3H3,(H2,11,17).
What are the key properties of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide?
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide has a molecular weight of 290.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 62061405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).