N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide

C9H16N2O3S — CID 146127051

IUPACN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-3-9(12)10-7-8-5-4-6-11(8)15(2,13)14/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1
InChIKeyZZOTUHYJKRKTFO-MRVPVSSYSA-N
MW232.30 g/mol
LogP-0.29
Rot. Bonds4

About N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide

N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide (PubChem CID 146127051) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide
PubChem CID146127051
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-3-9(12)10-7-8-5-4-6-11(8)15(2,13)14/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1
InChIKeyZZOTUHYJKRKTFO-MRVPVSSYSA-N
XLogP-0.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pentanamide
CID 110750211
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
2-(2-bicyclo[3.1.0]hexanyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]acetamide
CID 128558161
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110033568
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-4-phenoxybutanamide
CID 110750055
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110750058
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea
CID 122142432
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide (CID 146127051) is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide?
The InChIKey is ZZOTUHYJKRKTFO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-9(12)10-7-8-5-4-6-11(8)15(2,13)14/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1.
What are the key properties of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide?
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide has a molecular weight of 232.30 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 146127051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).