1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

C13H21N3O2S — CID 43599791

IUPAC1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C13H21N3O2S/c17-19(18,12-13-4-2-1-3-5-13)15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2
InChIKeyFDIJLYFSHYNHAI-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.01
Rot. Bonds6

About 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 43599791) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID43599791
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C13H21N3O2S/c17-19(18,12-13-4-2-1-3-5-13)15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2
InChIKeyFDIJLYFSHYNHAI-UHFFFAOYSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
methyl 3-(2-piperazin-1-ylethylsulfamoylmethyl)benzoate
CID 119966716
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
1-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994415
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
CID 120874591
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999788
2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 154911727
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 43599791) is 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCN1CCNCC1.
What is the InChIKey of 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is FDIJLYFSHYNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-19(18,12-13-4-2-1-3-5-13)15-8-11-16-9-6-14-7-10-16/h1-5,14-15H,6-12H2.
What are the key properties of 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 43599791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).