N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide

C17H35N5O3S — CID 50775977

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCN1CCN(C)CC1)CCC(=O)N1CCNCC1
InChIInChI=1S/C17H35N5O3S/c1-3-26(24,25)22(9-4-8-20-15-13-19(2)14-16-20)10-5-17(23)21-11-6-18-7-12-21/h18H,3-16H2,1-2H3
InChIKeyJCGXWRUXSKUWEL-UHFFFAOYSA-N
MW389.57 g/mol
LogP-0.90
Rot. Bonds9

About N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide

N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide (PubChem CID 50775977) has the molecular formula C17H35N5O3S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide
PubChem CID50775977
Molecular FormulaC17H35N5O3S
Molecular Weight389.57 g/mol
Exact Mass389.25
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCN1CCN(C)CC1)CCC(=O)N1CCNCC1
InChIInChI=1S/C17H35N5O3S/c1-3-26(24,25)22(9-4-8-20-15-13-19(2)14-16-20)10-5-17(23)21-11-6-18-7-12-21/h18H,3-16H2,1-2H3
InChIKeyJCGXWRUXSKUWEL-UHFFFAOYSA-N
XLogP-0.90
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide (CID 50775977) is N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide is CCS(=O)(=O)N(CCCN1CCN(C)CC1)CCC(=O)N1CCNCC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide?
The InChIKey is JCGXWRUXSKUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O3S/c1-3-26(24,25)22(9-4-8-20-15-13-19(2)14-16-20)10-5-17(23)21-11-6-18-7-12-21/h18H,3-16H2,1-2H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide has a molecular weight of 389.57 g/mol, XLogP of -0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 50775977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).