4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one

C14H29N5O3S — CID 120560567

IUPAC4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N5O3S/c1-13(15)3-4-14(20)17-7-11-19(12-8-17)23(21,22)18-9-5-16(2)6-10-18/h13H,3-12,15H2,1-2H3
InChIKeyWIHUEFBOJQMXPT-UHFFFAOYSA-N
MW347.49 g/mol
LogP-1.25
Rot. Bonds5

About 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one

4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 120560567) has the molecular formula C14H29N5O3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID120560567
Molecular FormulaC14H29N5O3S
Molecular Weight347.49 g/mol
Exact Mass347.20
IUPAC Name4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N5O3S/c1-13(15)3-4-14(20)17-7-11-19(12-8-17)23(21,22)18-9-5-16(2)6-10-18/h13H,3-12,15H2,1-2H3
InChIKeyWIHUEFBOJQMXPT-UHFFFAOYSA-N
XLogP-1.25
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560564
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
2-(3-aminobutylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66232847
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520
4-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 120561211
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
CID 46979836
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 119730790
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one (CID 120560567) is 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is WIHUEFBOJQMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O3S/c1-13(15)3-4-14(20)17-7-11-19(12-8-17)23(21,22)18-9-5-16(2)6-10-18/h13H,3-12,15H2,1-2H3.
What are the key properties of 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one?
4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 347.49 g/mol, XLogP of -1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120560567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).