(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one

C10H21N3O3S — CID 107568869

IUPAC(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-3-4-9(11)10(14)12-5-7-13(8-6-12)17(2,15)16/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyNDWRUZJVTUBLRE-VIFPVBQESA-N
MW263.36 g/mol
LogP-0.78
Rot. Bonds4

About (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one

(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one (PubChem CID 107568869) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
PubChem CID107568869
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-3-4-9(11)10(14)12-5-7-13(8-6-12)17(2,15)16/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyNDWRUZJVTUBLRE-VIFPVBQESA-N
XLogP-0.78
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 119322034
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one (CID 107568869) is (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The InChIKey is NDWRUZJVTUBLRE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-3-4-9(11)10(14)12-5-7-13(8-6-12)17(2,15)16/h9H,3-8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one has a molecular weight of 263.36 g/mol, XLogP of -0.78, 4 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-methylsulfonylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 107568869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).