N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide

C16H33N3O2S — CID 90967401

IUPACN-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H33N3O2S/c1-2-12-22(20,21)18-14-16(19-10-8-17-9-11-19)13-15-6-4-3-5-7-15/h15-18H,2-14H2,1H3
InChIKeyIJFHIOSUELZAEG-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.56
Rot. Bonds8

About N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide

N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide (PubChem CID 90967401) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide
PubChem CID90967401
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H33N3O2S/c1-2-12-22(20,21)18-14-16(19-10-8-17-9-11-19)13-15-6-4-3-5-7-15/h15-18H,2-14H2,1H3
InChIKeyIJFHIOSUELZAEG-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethylsulfonyl-4-(4-methylcyclohexyl)piperazine
CID 645719
1-(4-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 777548
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
1-cyclopentyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]methanesulfonamide
CID 164639860
1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82794651
1-(3-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 3145559
2-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylethanesulfonamide
CID 56701976
1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 127364269
2-cyclohexyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
CID 20774704
N-(cyclohexylmethyl)-4-[(2S)-1-methylpyrrolidin-2-yl]butane-1-sulfonamide
CID 20774746
1-(2-aminoethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983828

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide (CID 90967401) is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is IJFHIOSUELZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-2-12-22(20,21)18-14-16(19-10-8-17-9-11-19)13-15-6-4-3-5-7-15/h15-18H,2-14H2,1H3.
What are the key properties of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide?
N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 331.53 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 90967401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).