1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone

C8H18N4O3S — CID 110605960

IUPAC1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
SMILESCNS(=O)(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H18N4O3S/c1-9-16(14,15)10-7-8(13)12-5-3-11(2)4-6-12/h9-10H,3-7H2,1-2H3
InChIKeyPWZVWYFVXIDBQE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-2.19
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone (PubChem CID 110605960) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
PubChem CID110605960
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
SMILESCNS(=O)(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H18N4O3S/c1-9-16(14,15)10-7-8(13)12-5-3-11(2)4-6-12/h9-10H,3-7H2,1-2H3
InChIKeyPWZVWYFVXIDBQE-UHFFFAOYSA-N
XLogP-2.19
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
CID 110406941
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 103604972
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone (CID 110605960) is 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone is CNS(=O)(=O)NCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone?
The InChIKey is PWZVWYFVXIDBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-9-16(14,15)10-7-8(13)12-5-3-11(2)4-6-12/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone has a molecular weight of 250.32 g/mol, XLogP of -2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone is sourced from PubChem (CID 110605960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).