N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide

C19H25N3O2S — CID 68604895

IUPACN-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-25(23,24)20-19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3
InChIKeyHVEKDQDGWCPVGZ-UHFFFAOYSA-N
MW359.49 g/mol
LogP1.88
Rot. Bonds6

About N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide

N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide (PubChem CID 68604895) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
PubChem CID68604895
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC NameN-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-25(23,24)20-19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3
InChIKeyHVEKDQDGWCPVGZ-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide
CID 67945844
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
N-[(3S,4R)-1-(1-benzylpiperidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70704856
(8aR)-2-benzyl-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368585
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide?
The IUPAC name of N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide (CID 68604895) is N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide?
The canonical SMILES for N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide is CS(=O)(=O)NC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide?
The InChIKey is HVEKDQDGWCPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-25(23,24)20-19-16-21(14-17-8-4-2-5-9-17)12-13-22(19)15-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3.
What are the key properties of N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide?
N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide is sourced from PubChem (CID 68604895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).