N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide

C13H29N5O4S2 — CID 55681562

IUPACN,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H29N5O4S2/c1-4-15(5-2)23(19,20)17-10-12-18(13-11-17)24(21,22)16-8-6-14(3)7-9-16/h4-13H2,1-3H3
InChIKeyOYYUJLJJJKGDKK-UHFFFAOYSA-N
MW383.54 g/mol
LogP-1.32
Rot. Bonds6

About N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide

N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide (PubChem CID 55681562) has the molecular formula C13H29N5O4S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide
PubChem CID55681562
Molecular FormulaC13H29N5O4S2
Molecular Weight383.54 g/mol
Exact Mass383.17
IUPAC NameN,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H29N5O4S2/c1-4-15(5-2)23(19,20)17-10-12-18(13-11-17)24(21,22)16-8-6-14(3)7-9-16/h4-13H2,1-3H3
InChIKeyOYYUJLJJJKGDKK-UHFFFAOYSA-N
XLogP-1.32
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide (CID 55681562) is N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide?
The InChIKey is OYYUJLJJJKGDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O4S2/c1-4-15(5-2)23(19,20)17-10-12-18(13-11-17)24(21,22)16-8-6-14(3)7-9-16/h4-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide?
N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide has a molecular weight of 383.54 g/mol, XLogP of -1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 55681562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).