N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide

C9H14N4O3S — CID 113402571

IUPACN-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H14N4O3S/c1-7(14)12-8-2-3-13(5-8)17(15,16)9-4-10-6-11-9/h4,6,8H,2-3,5H2,1H3,(H,10,11)(H,12,14)
InChIKeyXURKSSKHIWNBIQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.69
Rot. Bonds3

About N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide

N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide (PubChem CID 113402571) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
PubChem CID113402571
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H14N4O3S/c1-7(14)12-8-2-3-13(5-8)17(15,16)9-4-10-6-11-9/h4,6,8H,2-3,5H2,1H3,(H,10,11)(H,12,14)
InChIKeyXURKSSKHIWNBIQ-UHFFFAOYSA-N
XLogP-0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 113402030
1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106670954
3-ethyl-1-(1H-imidazol-5-ylsulfonyl)piperidin-4-amine
CID 81457675
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 20862166
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198042
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856427
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 155880635
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
CID 81103360
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide (CID 113402571) is N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is XURKSSKHIWNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-7(14)12-8-2-3-13(5-8)17(15,16)9-4-10-6-11-9/h4,6,8H,2-3,5H2,1H3,(H,10,11)(H,12,14).
What are the key properties of N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide?
N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 258.30 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).