N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide

C8H18N2O2S — CID 58858729

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCCN1CCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-4-5-8(10)7-9-13(2,11)12/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCTXKGTITZRYSQO-QMMMGPOBSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 58858729) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID58858729
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCCN1CCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-4-5-8(10)7-9-13(2,11)12/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCTXKGTITZRYSQO-QMMMGPOBSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide (CID 58858729) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide is CCN1CCC[C@H]1CNS(C)(=O)=O.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is CTXKGTITZRYSQO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10-6-4-5-8(10)7-9-13(2,11)12/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 58858729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).