[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C18H27N4O4S+ — CID 9053335

IUPAC[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O4S/c1-20(13-17(23)19-15-7-8-15)14-18(24)21-9-11-22(12-10-21)27(25,26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,23)/p+1
InChIKeyQZTAPNAHUJDNSD-UHFFFAOYSA-O
MW395.51 g/mol
LogP-1.69
Rot. Bonds7

About [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 9053335) has the molecular formula C18H27N4O4S+ and a molecular weight of 395.51 g/mol. Its IUPAC name is [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID9053335
Molecular FormulaC18H27N4O4S+
Molecular Weight395.51 g/mol
Exact Mass395.17
IUPAC Name[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O4S/c1-20(13-17(23)19-15-7-8-15)14-18(24)21-9-11-22(12-10-21)27(25,26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,23)/p+1
InChIKeyQZTAPNAHUJDNSD-UHFFFAOYSA-O
XLogP-1.69
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054744
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione
CID 42910150
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8910937
1-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dicyclopropylpropan-1-one
CID 48571952
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 11934751
1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(methylamino)ethanone
CID 119748126
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8790971
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119678284
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
CID 8909754
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide
CID 55572982

Frequently Asked Questions

What is the IUPAC name of [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 9053335) is [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC1CC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is QZTAPNAHUJDNSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N4O4S/c1-20(13-17(23)19-15-7-8-15)14-18(24)21-9-11-22(12-10-21)27(25,26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,23)/p+1.
What are the key properties of [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 395.51 g/mol, XLogP of -1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).