N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide

C14H29N3O2S — CID 79878269

IUPACN-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-14(2)6-4-3-5-13(14)16-20(18,19)12-11-17-9-7-15-8-10-17/h13,15-16H,3-12H2,1-2H3
InChIKeyBIZCFDGLDLYTAF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds5

About N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide

N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 79878269) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID79878269
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-14(2)6-4-3-5-13(14)16-20(18,19)12-11-17-9-7-15-8-10-17/h13,15-16H,3-12H2,1-2H3
InChIKeyBIZCFDGLDLYTAF-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
(2,2-dimethylcyclohexyl)sulfamic acid
CID 175440747
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide (CID 79878269) is N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide is CC1(C)CCCCC1NS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is BIZCFDGLDLYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2)6-4-3-5-13(14)16-20(18,19)12-11-17-9-7-15-8-10-17/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 79878269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).