4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide

C11H24N4O3S — CID 110611593

IUPAC4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-12-19(17,18)15-9-7-14(8-10-15)11(16)5-6-13(2)3/h12H,4-10H2,1-3H3
InChIKeyPHRMXHDBIRLDGC-UHFFFAOYSA-N
MW292.40 g/mol
LogP-1.06
Rot. Bonds6

About 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide

4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide (PubChem CID 110611593) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
PubChem CID110611593
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC Name4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-12-19(17,18)15-9-7-14(8-10-15)11(16)5-6-13(2)3/h12H,4-10H2,1-3H3
InChIKeyPHRMXHDBIRLDGC-UHFFFAOYSA-N
XLogP-1.06
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110611641
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617908
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide
CID 110611361
3-(dimethylamino)-1-[4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603406
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
CID 23153551
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide (CID 110611593) is 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide?
The InChIKey is PHRMXHDBIRLDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-4-12-19(17,18)15-9-7-14(8-10-15)11(16)5-6-13(2)3/h12H,4-10H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide?
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110611593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).