N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide

C14H30N4O2S — CID 123818711

IUPACN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C14H30N4O2S/c1-2-13-21(19,20)18(14-3-5-15-6-4-14)12-11-17-9-7-16-8-10-17/h14-16H,2-13H2,1H3
InChIKeyHULBACDSYBEQOT-UHFFFAOYSA-N
MW318.49 g/mol
LogP-0.31
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide

N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide (PubChem CID 123818711) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
PubChem CID123818711
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC NameN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C14H30N4O2S/c1-2-13-21(19,20)18(14-3-5-15-6-4-14)12-11-17-9-7-16-8-10-17/h14-16H,2-13H2,1H3
InChIKeyHULBACDSYBEQOT-UHFFFAOYSA-N
XLogP-0.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide (CID 123818711) is N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
The InChIKey is HULBACDSYBEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-2-13-21(19,20)18(14-3-5-15-6-4-14)12-11-17-9-7-16-8-10-17/h14-16H,2-13H2,1H3.
What are the key properties of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide?
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 123818711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).