cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone

C18H31N3O4S — CID 97348653

IUPACcyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)C1
InChIInChI=1S/C18H31N3O4S/c22-18(16-3-1-2-4-16)20-12-17(13-20)26(23,24)21-8-6-19(7-9-21)11-15-5-10-25-14-15/h15-17H,1-14H2/t15-/m1/s1
InChIKeyIPKYRGQHOKEPAQ-OAHLLOKOSA-N
MW385.53 g/mol
LogP0.37
Rot. Bonds5

About cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone

cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone (PubChem CID 97348653) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone
PubChem CID97348653
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Namecyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)C1
InChIInChI=1S/C18H31N3O4S/c22-18(16-3-1-2-4-16)20-12-17(13-20)26(23,24)21-8-6-19(7-9-21)11-15-5-10-25-14-15/h15-17H,1-14H2/t15-/m1/s1
InChIKeyIPKYRGQHOKEPAQ-OAHLLOKOSA-N
XLogP0.37
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone with MolForge

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Related Compounds

(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897515
cyclopentyl-[3-(oxolan-3-ylmethoxy)azetidin-1-yl]methanone
CID 134160596
cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
(1-cyclopentylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 110619013
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120874346
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985
1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide
CID 137402497
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone (CID 97348653) is cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone is O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)C1.
What is the InChIKey of cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone?
The InChIKey is IPKYRGQHOKEPAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O4S/c22-18(16-3-1-2-4-16)20-12-17(13-20)26(23,24)21-8-6-19(7-9-21)11-15-5-10-25-14-15/h15-17H,1-14H2/t15-/m1/s1.
What are the key properties of cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone?
cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone has a molecular weight of 385.53 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 97348653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).