N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide

C15H31N3O2S — CID 70010185

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-2-12-21(19,20)17-13-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18/h14-17H,2-13H2,1H3
InChIKeyJUDCQICMARIIPZ-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.17
Rot. Bonds7

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide (PubChem CID 70010185) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
PubChem CID70010185
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-2-12-21(19,20)17-13-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18/h14-17H,2-13H2,1H3
InChIKeyJUDCQICMARIIPZ-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide
CID 75377027
N-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]propane-1-sulfonamide
CID 11943294
1-Ethylsulfonyl-4-(4-methylcyclohexyl)piperazine
CID 645719
1-(4-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 777548
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
1-cyclopentyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]methanesulfonamide
CID 164639860
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 71970292
1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82794651

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide (CID 70010185) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is JUDCQICMARIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-2-12-21(19,20)17-13-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18/h14-17H,2-13H2,1H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 70010185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).