N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide

C12H25N3O3S — CID 119728947

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O3S/c1-3-19(17,18)15(2)9-5-8-14-12(16)10-11-6-4-7-13-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyXPVRZLCCRCXIGF-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.08
Rot. Bonds8

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119728947) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119728947
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O3S/c1-3-19(17,18)15(2)9-5-8-14-12(16)10-11-6-4-7-13-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyXPVRZLCCRCXIGF-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.08
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

N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide (CID 119728947) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide is CCS(=O)(=O)N(C)CCCNC(=O)CC1CCCN1.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is XPVRZLCCRCXIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-19(17,18)15(2)9-5-8-14-12(16)10-11-6-4-7-13-11/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 291.42 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119728947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).