4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide

C13H26N4O3S — CID 134038724

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCC1CCCC(C)N1C(=O)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H26N4O3S/c1-11-4-3-5-12(2)17(11)13(18)10-15-6-8-16(9-7-15)21(14,19)20/h11-12H,3-10H2,1-2H3,(H2,14,19,20)
InChIKeyVBFFAPGOQJTSAI-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.40
Rot. Bonds3

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide (PubChem CID 134038724) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
PubChem CID134038724
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCC1CCCC(C)N1C(=O)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H26N4O3S/c1-11-4-3-5-12(2)17(11)13(18)10-15-6-8-16(9-7-15)21(14,19)20/h11-12H,3-10H2,1-2H3,(H2,14,19,20)
InChIKeyVBFFAPGOQJTSAI-UHFFFAOYSA-N
XLogP-0.40
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8796632
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 94632422
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 114961096
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 95271011
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95303806
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134055432
N,N-dimethyl-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 112683880
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide (CID 134038724) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide is CC1CCCC(C)N1C(=O)CN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The InChIKey is VBFFAPGOQJTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-11-4-3-5-12(2)17(11)13(18)10-15-6-8-16(9-7-15)21(14,19)20/h11-12H,3-10H2,1-2H3,(H2,14,19,20).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 134038724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).