(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C14H21N3O4S — CID 119265572

IUPAC(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cc1
InChIInChI=1S/C14H21N3O4S/c1-11(15)14(18)16-7-9-17(10-8-16)22(19,20)13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1
InChIKeyXDTWIMJLUGTIQV-LLVKDONJSA-N
MW327.41 g/mol
LogP-0.12
Rot. Bonds4

About (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 119265572) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID119265572
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cc1
InChIInChI=1S/C14H21N3O4S/c1-11(15)14(18)16-7-9-17(10-8-16)22(19,20)13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1
InChIKeyXDTWIMJLUGTIQV-LLVKDONJSA-N
XLogP-0.12
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678714
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate
CID 39333172
(2S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenoxy)propan-1-one
CID 42561110
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 119265572) is (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cc1.
What is the InChIKey of (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is XDTWIMJLUGTIQV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11(15)14(18)16-7-9-17(10-8-16)22(19,20)13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 327.41 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 119265572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).