(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride

C16H26ClN3O3S — CID 119269757

IUPAC(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13(2)17;/h5-8,13H,3-4,9-12,17H2,1-2H3;1H/t13-;/m0./s1
InChIKeyDKBXMZULMXKMOE-ZOWNYOTGSA-N
MW375.92 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119269757) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119269757
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13(2)17;/h5-8,13H,3-4,9-12,17H2,1-2H3;1H/t13-;/m0./s1
InChIKeyDKBXMZULMXKMOE-ZOWNYOTGSA-N
XLogP1.24
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride 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

2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
3-methyl-1-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110797428
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride (CID 119269757) is (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is DKBXMZULMXKMOE-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13(2)17;/h5-8,13H,3-4,9-12,17H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119269757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).