benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate

C15H23N3O4S — CID 110397607

IUPACbenzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
SMILESCS(=O)(=O)N1CCN(CCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)18-11-9-17(10-12-18)8-7-16-15(19)22-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyFBSPOMSFGBWWRN-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.49
Rot. Bonds6

About benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate

benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate (PubChem CID 110397607) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
PubChem CID110397607
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Namebenzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
SMILESCS(=O)(=O)N1CCN(CCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)18-11-9-17(10-12-18)8-7-16-15(19)22-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyFBSPOMSFGBWWRN-UHFFFAOYSA-N
XLogP0.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
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benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
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benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
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(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
CID 138396593
benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539
benzyl N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]carbamate
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benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate (CID 110397607) is benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate is CS(=O)(=O)N1CCN(CCNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is FBSPOMSFGBWWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23(20,21)18-11-9-17(10-12-18)8-7-16-15(19)22-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19).
What are the key properties of benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 110397607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).