N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide

C17H35N3O2S — CID 58786413

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C17H35N3O2S/c1-15(2)13-20(23(3,21)22)14-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h15-18H,4-14H2,1-3H3
InChIKeyXOCZBVCLNSGCJC-UHFFFAOYSA-N
MW345.55 g/mol
LogP1.76
Rot. Bonds7

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide (PubChem CID 58786413) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide
PubChem CID58786413
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C17H35N3O2S/c1-15(2)13-20(23(3,21)22)14-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h15-18H,4-14H2,1-3H3
InChIKeyXOCZBVCLNSGCJC-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide (CID 58786413) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is XOCZBVCLNSGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-15(2)13-20(23(3,21)22)14-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h15-18H,4-14H2,1-3H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 345.55 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 58786413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).