(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride

C12H26ClN3O4S — CID 119343269

IUPAC(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C12H25N3O4S.ClH/c1-10(2)19-8-9-20(17,18)15-6-4-14(5-7-15)12(16)11(3)13;/h10-11H,4-9,13H2,1-3H3;1H/t11-;/m0./s1
InChIKeyFRJSKTGJWVTGKP-MERQFXBCSA-N
MW343.88 g/mol
LogP-0.35
Rot. Bonds6

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

(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119343269) has the molecular formula C12H26ClN3O4S and a molecular weight of 343.88 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119343269
Molecular FormulaC12H26ClN3O4S
Molecular Weight343.88 g/mol
Exact Mass343.13
IUPAC Name(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C12H25N3O4S.ClH/c1-10(2)19-8-9-20(17,18)15-6-4-14(5-7-15)12(16)11(3)13;/h10-11H,4-9,13H2,1-3H3;1H/t11-;/m0./s1
InChIKeyFRJSKTGJWVTGKP-MERQFXBCSA-N
XLogP-0.35
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 94082074
(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291689
2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811412
2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811413
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-{2-[methyl(methylsulfonyl)amino]ethyl}propanamide
CID 56867283
N-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 72156041
(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 141017699
2-Amino-1-(2-methylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
CID 24700532
2-Amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
CID 24711694
(2S)-2-amino-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
CID 28270069
(2S)-2-amino-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 28270071
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 43416296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119343269) is (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is FRJSKTGJWVTGKP-MERQFXBCSA-N. The full InChI is InChI=1S/C12H25N3O4S.ClH/c1-10(2)19-8-9-20(17,18)15-6-4-14(5-7-15)12(16)11(3)13;/h10-11H,4-9,13H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119343269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).