N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide

C15H25N3O2S — CID 79756190

IUPACN-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-14-4-2-3-5-15(14)6-7-17-21(19,20)13-12-18-10-8-16-9-11-18/h2-5,16-17H,6-13H2,1H3
InChIKeyRVLVOOLQTUWYTA-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.36
Rot. Bonds7

About N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide

N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide (PubChem CID 79756190) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
PubChem CID79756190
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-14-4-2-3-5-15(14)6-7-17-21(19,20)13-12-18-10-8-16-9-11-18/h2-5,16-17H,6-13H2,1H3
InChIKeyRVLVOOLQTUWYTA-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
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1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
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1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
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3-(1,3-dioxoisoindol-2-yl)-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide
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N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
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N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
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CID 107626682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide (CID 79756190) is N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide is Cc1ccccc1CCNS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide?
The InChIKey is RVLVOOLQTUWYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14-4-2-3-5-15(14)6-7-17-21(19,20)13-12-18-10-8-16-9-11-18/h2-5,16-17H,6-13H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide?
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 79756190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).