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

C14H21N3O4S — CID 110397608

IUPACphenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
SMILESCS(=O)(=O)N1CCN(CCNC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)17-11-9-16(10-12-17)8-7-15-14(18)21-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyBEDSMGIYYPYMIN-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.35
Rot. Bonds5

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

phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate (PubChem CID 110397608) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
PubChem CID110397608
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Namephenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
SMILESCS(=O)(=O)N1CCN(CCNC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)17-11-9-16(10-12-17)8-7-15-14(18)21-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyBEDSMGIYYPYMIN-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
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1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
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2-(phenoxycarbonylamino)ethyl methanesulfonate
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N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
2-(4-cyanophenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 51126659
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
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3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
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1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate (CID 110397608) is phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate is CS(=O)(=O)N1CCN(CCNC(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is BEDSMGIYYPYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-22(19,20)17-11-9-16(10-12-17)8-7-15-14(18)21-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18).
What are the key properties of phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate?
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 327.41 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 110397608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).