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

C12H25N3O3S — CID 79388221

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCNC1C)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-7-14-12(16)11-6-8-13-10(11)2/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXOZNHDWZICTSCC-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.23
Rot. Bonds7

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

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388221) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388221
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCNC1C)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-7-14-12(16)11-6-8-13-10(11)2/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXOZNHDWZICTSCC-UHFFFAOYSA-N
XLogP-0.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
CID 107435457
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299945
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 79389205
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide (CID 79388221) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide is CCN(CCCNC(=O)C1CCNC1C)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is XOZNHDWZICTSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-7-14-12(16)11-6-8-13-10(11)2/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 291.42 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).