N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

C20H31N3O3S — CID 1090897

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)23(19-10-6-3-7-11-19)17-20(24)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
InChIKeyKKRYYGRVFUZMHU-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (PubChem CID 1090897) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
PubChem CID1090897
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)23(19-10-6-3-7-11-19)17-20(24)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
InChIKeyKKRYYGRVFUZMHU-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (CID 1090897) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The InChIKey is KKRYYGRVFUZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-27(25,26)23(19-10-6-3-7-11-19)17-20(24)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 1090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).