[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide

C11H16N4O3S — CID 167935766

IUPAC[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1C(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C11H16N4O3S/c12-19(17,18)7-10-2-1-5-15(10)11(16)4-3-9-6-13-8-14-9/h3-4,6,8,10H,1-2,5,7H2,(H,13,14)(H2,12,17,18)/b4-3+
InChIKeyVNBWINKVVUBGSC-ONEGZZNKSA-N
MW284.34 g/mol
LogP-0.30
Rot. Bonds4

About [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide

[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 167935766) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID167935766
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1C(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C11H16N4O3S/c12-19(17,18)7-10-2-1-5-15(10)11(16)4-3-9-6-13-8-14-9/h3-4,6,8,10H,1-2,5,7H2,(H,13,14)(H2,12,17,18)/b4-3+
InChIKeyVNBWINKVVUBGSC-ONEGZZNKSA-N
XLogP-0.30
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1H-imidazol-5-yl)-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132770956
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290
(1-propanoylpyrrolidin-2-yl)methanesulfonamide
CID 174111492
(E)-3-(3-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 113290869
(E)-3-(1H-imidazol-5-yl)-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 132766283
3-(1H-imidazol-5-yl)prop-2-enoate
CID 5460648
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 79029117
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,6-difluorophenyl)prop-2-en-1-one
CID 126778667
3-(3,5-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79028917
N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
3-(4-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79030316
3-(1H-imidazol-5-yl)-1-(4H-pyrimidin-3-yl)prop-2-en-1-one
CID 67079359

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide (CID 167935766) is [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1C(=O)/C=C/c1cnc[nH]1.
What is the InChIKey of [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is VNBWINKVVUBGSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-19(17,18)7-10-2-1-5-15(10)11(16)4-3-9-6-13-8-14-9/h3-4,6,8,10H,1-2,5,7H2,(H,13,14)(H2,12,17,18)/b4-3+.
What are the key properties of [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide?
[1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 167935766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).