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

C15H32N4O2S — CID 118527469

IUPACN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C15H32N4O2S/c1-2-3-14-22(20,21)19(15-4-6-16-7-5-15)13-12-18-10-8-17-9-11-18/h15-17H,2-14H2,1H3
InChIKeyROPNLVFBHZAASJ-UHFFFAOYSA-N
MW332.51 g/mol
LogP0.08
Rot. Bonds8

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

N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (PubChem CID 118527469) has the molecular formula C15H32N4O2S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
PubChem CID118527469
Molecular FormulaC15H32N4O2S
Molecular Weight332.51 g/mol
Exact Mass332.22
IUPAC NameN-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C15H32N4O2S/c1-2-3-14-22(20,21)19(15-4-6-16-7-5-15)13-12-18-10-8-17-9-11-18/h15-17H,2-14H2,1H3
InChIKeyROPNLVFBHZAASJ-UHFFFAOYSA-N
XLogP0.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
CID 118527460
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 172908915
N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 82177219
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630038

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (CID 118527469) is N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The InChIKey is ROPNLVFBHZAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2S/c1-2-3-14-22(20,21)19(15-4-6-16-7-5-15)13-12-18-10-8-17-9-11-18/h15-17H,2-14H2,1H3.
What are the key properties of N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide has a molecular weight of 332.51 g/mol, XLogP of 0.08, 8 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-ylbutane-1-sulfonamide is sourced from PubChem (CID 118527469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).