(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide

C12H25N3O3S — CID 94418958

IUPAC(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-6-13-12(16)11(3)14-7-9-15(10-8-14)19(17,18)5-2/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1
InChIKeyPGPBGXUWRAAZPK-NSHDSACASA-N
MW291.42 g/mol
LogP-0.13
Rot. Bonds6

About (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide

(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide (PubChem CID 94418958) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
PubChem CID94418958
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-6-13-12(16)11(3)14-7-9-15(10-8-14)19(17,18)5-2/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1
InChIKeyPGPBGXUWRAAZPK-NSHDSACASA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
(2S)-N-propyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493459
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
CID 43117218
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide?
The IUPAC name of (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide (CID 94418958) is (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide.
What is the SMILES notation for (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide?
The canonical SMILES for (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide is CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide?
The InChIKey is PGPBGXUWRAAZPK-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-6-13-12(16)11(3)14-7-9-15(10-8-14)19(17,18)5-2/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide?
(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide has a molecular weight of 291.42 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 94418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).