4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one

C16H26N4O4S — CID 45186799

IUPAC4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one
SMILESCCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1CC1CCCO1
InChIInChI=1S/C16H26N4O4S/c1-2-8-25(22,23)16-18-9-13(10-19-6-5-17-15(21)12-19)20(16)11-14-4-3-7-24-14/h9,14H,2-8,10-12H2,1H3,(H,17,21)
InChIKeyKNICYLBMAWXPRM-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.18
Rot. Bonds7

About 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one

4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one (PubChem CID 45186799) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one
PubChem CID45186799
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one
SMILESCCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1CC1CCCO1
InChIInChI=1S/C16H26N4O4S/c1-2-8-25(22,23)16-18-9-13(10-19-6-5-17-15(21)12-19)20(16)11-14-4-3-7-24-14/h9,14H,2-8,10-12H2,1H3,(H,17,21)
InChIKeyKNICYLBMAWXPRM-UHFFFAOYSA-N
XLogP0.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
2-(4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 28666213
4-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45178507
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45179161
ethyl N-methyl-N-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}glycinate
CID 45181264
4-{[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45182028
2-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 45187954

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one (CID 45186799) is 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one is CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1CC1CCCO1.
What is the InChIKey of 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one?
The InChIKey is KNICYLBMAWXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-2-8-25(22,23)16-18-9-13(10-19-6-5-17-15(21)12-19)20(16)11-14-4-3-7-24-14/h9,14H,2-8,10-12H2,1H3,(H,17,21).
What are the key properties of 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one?
4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one has a molecular weight of 370.48 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 45186799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).