N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide

C11H22N4O4S — CID 107435457

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CNC(=O)CN1)S(C)(=O)=O
InChIInChI=1S/C11H22N4O4S/c1-3-15(20(2,18)19)6-4-5-12-11(17)9-7-14-10(16)8-13-9/h9,13H,3-8H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyQLMMVJDKGAGRTH-UHFFFAOYSA-N
MW306.39 g/mol
LogP-2.14
Rot. Bonds7

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435457) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435457
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CNC(=O)CN1)S(C)(=O)=O
InChIInChI=1S/C11H22N4O4S/c1-3-15(20(2,18)19)6-4-5-12-11(17)9-7-14-10(16)8-13-9/h9,13H,3-8H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyQLMMVJDKGAGRTH-UHFFFAOYSA-N
XLogP-2.14
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopiperazine-2-carboxamide
CID 107437787
N-[2-(methanesulfonamido)-2-methylpropyl]-5-oxopiperazine-2-carboxamide
CID 107436596
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
CID 79388221
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299945
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide (CID 107435457) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide is CCN(CCCNC(=O)C1CNC(=O)CN1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is QLMMVJDKGAGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-3-15(20(2,18)19)6-4-5-12-11(17)9-7-14-10(16)8-13-9/h9,13H,3-8H2,1-2H3,(H,12,17)(H,14,16).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of -2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).