N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide

C16H33N3O2S — CID 71997349

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
SMILESCCN1CCN(CC(C)CNS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-3-18-9-11-19(12-10-18)14-15(2)13-17-22(20,21)16-7-5-4-6-8-16/h15-17H,3-14H2,1-2H3
InChIKeyNKZJFCBDIPELFG-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.51
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide (PubChem CID 71997349) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
PubChem CID71997349
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
SMILESCCN1CCN(CC(C)CNS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-3-18-9-11-19(12-10-18)14-15(2)13-17-22(20,21)16-7-5-4-6-8-16/h15-17H,3-14H2,1-2H3
InChIKeyNKZJFCBDIPELFG-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
CID 55141917
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-[(2R)-1-piperidin-1-ylpropan-2-yl]cyclopropanesulfonamide
CID 99827272
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 61065292
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide (CID 71997349) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide is CCN1CCN(CC(C)CNS(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide?
The InChIKey is NKZJFCBDIPELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-3-18-9-11-19(12-10-18)14-15(2)13-17-22(20,21)16-7-5-4-6-8-16/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide has a molecular weight of 331.53 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide is sourced from PubChem (CID 71997349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).