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

C14H29N3O2S — CID 91582674

IUPACN-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-20(18,19)16-12-14(13-5-3-4-6-13)17-9-7-15-8-10-17/h13-16H,2-12H2,1H3
InChIKeyUAMRCIGCYBIVCY-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds7

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

N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide (PubChem CID 91582674) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
PubChem CID91582674
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-20(18,19)16-12-14(13-5-3-4-6-13)17-9-7-15-8-10-17/h13-16H,2-12H2,1H3
InChIKeyUAMRCIGCYBIVCY-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
[3-Methyl-1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]methanamine
CID 64022282
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]methanesulfonamide
CID 72006528
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
1-cyclopentyl-N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 131892769
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
1-cyclopentyl-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]methanesulfonamide
CID 164630706
1-cyclopentyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]methanesulfonamide
CID 164639860
2-[1-(Piperidin-2-yl)ethyl]-1lambda6,2-thiazolidine-1,1-dione
CID 43523037
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 71970292

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide (CID 91582674) is N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C1CCCC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is UAMRCIGCYBIVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-11-20(18,19)16-12-14(13-5-3-4-6-13)17-9-7-15-8-10-17/h13-16H,2-12H2,1H3.
What are the key properties of N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide?
N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 91582674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).