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

C6H14N2O3S — CID 43597256

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNCC1NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-11-6-4-7-3-5(6)8-12(2,9)10/h5-8H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyBSYFGLDNMXJRGF-GDVGLLTNSA-N
MW194.26 g/mol
LogP-1.48
Rot. Bonds3

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

N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (PubChem CID 43597256) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
PubChem CID43597256
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNCC1NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-11-6-4-7-3-5(6)8-12(2,9)10/h5-8H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyBSYFGLDNMXJRGF-GDVGLLTNSA-N
XLogP-1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.48
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]methanesulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (CID 43597256) is N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide is CO[C@H]1CNCC1NS(C)(=O)=O.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BSYFGLDNMXJRGF-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-11-6-4-7-3-5(6)8-12(2,9)10/h5-8H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.48, 3 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]methanesulfonamide is sourced from PubChem (CID 43597256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).