N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide

C8H16N2O3S — CID 59268312

IUPACN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(11)10-4-3-8(6-10)5-9-14(2,12)13/h8-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyOFRKNXBIKODCFH-MRVPVSSYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds3

About N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 59268312) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID59268312
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(11)10-4-3-8(6-10)5-9-14(2,12)13/h8-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyOFRKNXBIKODCFH-MRVPVSSYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide (CID 59268312) is N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide is CC(=O)N1CC[C@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is OFRKNXBIKODCFH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(11)10-4-3-8(6-10)5-9-14(2,12)13/h8-9H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).