N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

C12H26N4O2S — CID 90990638

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-14-9-11-15(12-10-14)8-5-13-19(17,18)16-6-3-2-4-7-16/h13H,2-12H2,1H3
InChIKeyDBQUGTQEUWZJQP-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.45
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 90990638) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
PubChem CID90990638
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H26N4O2S/c1-14-9-11-15(12-10-14)8-5-13-19(17,18)16-6-3-2-4-7-16/h13H,2-12H2,1H3
InChIKeyDBQUGTQEUWZJQP-UHFFFAOYSA-N
XLogP-0.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (CID 90990638) is N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is CN1CCN(CCNS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is DBQUGTQEUWZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-14-9-11-15(12-10-14)8-5-13-19(17,18)16-6-3-2-4-7-16/h13H,2-12H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 90990638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).