N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide

C11H23N3O3S — CID 53499006

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCN1CCCC1CNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H23N3O3S/c1-4-14-7-5-6-10(14)8-12-11(15)9-13(2)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyCEJMEYCYYOGHAX-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.52
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 53499006) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID53499006
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCN1CCCC1CNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H23N3O3S/c1-4-14-7-5-6-10(14)8-12-11(15)9-13(2)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyCEJMEYCYYOGHAX-UHFFFAOYSA-N
XLogP-0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
CID 24707630
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 119650584
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 53499006) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide is CCN1CCCC1CNC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is CEJMEYCYYOGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-14-7-5-6-10(14)8-12-11(15)9-13(2)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 277.39 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 53499006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).