4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide

C14H30N4O3S — CID 110611641

IUPAC4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)CCN(CC)CC)CC1
InChIInChI=1S/C14H30N4O3S/c1-4-8-15-22(20,21)18-12-10-17(11-13-18)14(19)7-9-16(5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyBQBKBIYTQLJXQT-UHFFFAOYSA-N
MW334.49 g/mol
LogP0.11
Rot. Bonds9

About 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide

4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide (PubChem CID 110611641) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
PubChem CID110611641
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC Name4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)CCN(CC)CC)CC1
InChIInChI=1S/C14H30N4O3S/c1-4-8-15-22(20,21)18-12-10-17(11-13-18)14(19)7-9-16(5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyBQBKBIYTQLJXQT-UHFFFAOYSA-N
XLogP0.11
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110422402
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
CID 110611593
4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110613992
3-(diethylamino)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110422421
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
CID 110611345
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110617966
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 110423178
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
4-pentanoylpiperazine-1-sulfonamide
CID 61072587

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide (CID 110611641) is 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(C(=O)CCN(CC)CC)CC1.
What is the InChIKey of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide?
The InChIKey is BQBKBIYTQLJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-4-8-15-22(20,21)18-12-10-17(11-13-18)14(19)7-9-16(5-2)6-3/h15H,4-13H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide?
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide has a molecular weight of 334.49 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 110611641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).