2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid

C8H15N3O5S — CID 62992600

IUPAC2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
SMILESCS(=O)(=O)N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H15N3O5S/c1-17(15,16)11-4-2-10(3-5-11)8(14)9-6-7(12)13/h2-6H2,1H3,(H,9,14)(H,12,13)
InChIKeyMLJPBHLLPYLBSC-UHFFFAOYSA-N
MW265.29 g/mol
LogP-1.64
Rot. Bonds3

About 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid

2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 62992600) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID62992600
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
SMILESCS(=O)(=O)N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H15N3O5S/c1-17(15,16)11-4-2-10(3-5-11)8(14)9-6-7(12)13/h2-6H2,1H3,(H,9,14)(H,12,13)
InChIKeyMLJPBHLLPYLBSC-UHFFFAOYSA-N
XLogP-1.64
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(4-methylsulfonylpiperazine-1-carbonyl)amino]butanoic acid
CID 81069892
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
CID 108888440
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
2-[carboxymethyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 63646511
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
2-[methyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62993110
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid (CID 62992600) is 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid is CS(=O)(=O)N1CCN(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is MLJPBHLLPYLBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5S/c1-17(15,16)11-4-2-10(3-5-11)8(14)9-6-7(12)13/h2-6H2,1H3,(H,9,14)(H,12,13).
What are the key properties of 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid?
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 265.29 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 62992600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).