N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C15H29N3O3S — CID 113149024

IUPACN-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-4-6-8-14/h14H,3-13H2,1-2H3
InChIKeyQYCCXQJFZGAWMX-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.74
Rot. Bonds5

About N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113149024) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113149024
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-4-6-8-14/h14H,3-13H2,1-2H3
InChIKeyQYCCXQJFZGAWMX-UHFFFAOYSA-N
XLogP0.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide;hydrochloride
CID 16188121
N-Cyclohexyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-methanesulfonamide
CID 647681
2-[cyclohexyl(methylsulfonyl)amino]-N-ethylacetamide
CID 1815811
ethyl 4-[N-cyclohexyl-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate
CID 1090900
2-[cyclohexyl(methylsulfonyl)amino]-N-propylacetamide
CID 1815812
N-butyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1815814
N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 30464585
N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 855511
N-cyclohexyl-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]methanesulfonamide
CID 954161
N-(sec-butyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 2984150
N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 1442483
N-Cyclohexyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 954162

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113149024) is N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CCN1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is QYCCXQJFZGAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-3-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-4-6-8-14/h14H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113149024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).