benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate

C19H27N3O6S — CID 97082374

IUPACbenzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1
InChIInChI=1S/C19H27N3O6S/c23-18(17-7-4-13-27-17)21-9-11-22(12-10-21)29(25,26)14-8-20-19(24)28-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,20,24)/t17-/m1/s1
InChIKeyQGCGPRVWMOYGCZ-QGZVFWFLSA-N
MW425.51 g/mol
LogP0.57
Rot. Bonds7

About benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate

benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate (PubChem CID 97082374) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate
PubChem CID97082374
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Namebenzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1
InChIInChI=1S/C19H27N3O6S/c23-18(17-7-4-13-27-17)21-9-11-22(12-10-21)29(25,26)14-8-20-19(24)28-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,20,24)/t17-/m1/s1
InChIKeyQGCGPRVWMOYGCZ-QGZVFWFLSA-N
XLogP0.57
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110817829
N-(3-benzylsulfonylpropyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302252
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 2815642
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56513256
[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110797601
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
CID 121168031
phenyl 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanesulfonate
CID 18292590
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate (CID 97082374) is benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate is O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate?
The InChIKey is QGCGPRVWMOYGCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O6S/c23-18(17-7-4-13-27-17)21-9-11-22(12-10-21)29(25,26)14-8-20-19(24)28-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,20,24)/t17-/m1/s1.
What are the key properties of benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate?
benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate has a molecular weight of 425.51 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate is sourced from PubChem (CID 97082374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).