N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide

C7H16N2O3S — CID 43597263

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C7H16N2O3S/c1-3-13(10,11)9-6-4-8-5-7(6)12-2/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGNRVGCJXSQURJB-MLWJPKLSSA-N
MW208.28 g/mol
LogP-1.09
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide (PubChem CID 43597263) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
PubChem CID43597263
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C7H16N2O3S/c1-3-13(10,11)9-6-4-8-5-7(6)12-2/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGNRVGCJXSQURJB-MLWJPKLSSA-N
XLogP-1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide (CID 43597263) is N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is GNRVGCJXSQURJB-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-13(10,11)9-6-4-8-5-7(6)12-2/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 43597263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).