N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide

C11H20N2O3S — CID 166684834

IUPACN-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESC=C[C@H]1CN(C(C)=O)C[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-5-10-7-13(9(2)14)8-11(10)6-12(3)17(4,15)16/h5,10-11H,1,6-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyVUTVWNNVRNGQHX-WDEREUQCSA-N
MW260.36 g/mol
LogP0.16
Rot. Bonds4

About N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide

N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 166684834) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID166684834
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESC=C[C@H]1CN(C(C)=O)C[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-5-10-7-13(9(2)14)8-11(10)6-12(3)17(4,15)16/h5,10-11H,1,6-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyVUTVWNNVRNGQHX-WDEREUQCSA-N
XLogP0.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R,4S)-3-(aminomethyl)-4-prop-2-enylpyrrolidin-1-yl]ethanone
CID 161162625
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
1-[3-amino-4-(bromomethyl)pyrrolidin-1-yl]ethanone
CID 130952262
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808
2-[[methyl(methylsulfonyl)amino]methyl]-1,4-oxazepane-4-carboxylic acid
CID 123496241
2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 50974093
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-acetylazetidine-3-sulfonamide
CID 137380120
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 136534158
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide (CID 166684834) is N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide is C=C[C@H]1CN(C(C)=O)C[C@H]1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is VUTVWNNVRNGQHX-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-5-10-7-13(9(2)14)8-11(10)6-12(3)17(4,15)16/h5,10-11H,1,6-8H2,2-4H3/t10-,11+/m0/s1.
What are the key properties of N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-1-acetyl-4-ethenylpyrrolidin-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166684834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).