(3S)-3-methoxypyrrolidine-1-sulfonamide

C5H12N2O3S — CID 90015831

IUPAC(3S)-3-methoxypyrrolidine-1-sulfonamide
SMILESCO[C@H]1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)/t5-/m0/s1
InChIKeyPHJVJJMVXWCASY-YFKPBYRVSA-N
MW180.23 g/mol
LogP-1.09
Rot. Bonds2

About (3S)-3-methoxypyrrolidine-1-sulfonamide

(3S)-3-methoxypyrrolidine-1-sulfonamide (PubChem CID 90015831) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is (3S)-3-methoxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methoxypyrrolidine-1-sulfonamide
PubChem CID90015831
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name(3S)-3-methoxypyrrolidine-1-sulfonamide
SMILESCO[C@H]1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)/t5-/m0/s1
InChIKeyPHJVJJMVXWCASY-YFKPBYRVSA-N
XLogP-1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxypyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-3-methoxypyrrolidine-1-sulfonamide (CID 90015831) is (3S)-3-methoxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methoxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methoxypyrrolidine-1-sulfonamide is CO[C@H]1CCN(S(N)(=O)=O)C1.
What is the InChIKey of (3S)-3-methoxypyrrolidine-1-sulfonamide?
The InChIKey is PHJVJJMVXWCASY-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)/t5-/m0/s1.
What are the key properties of (3S)-3-methoxypyrrolidine-1-sulfonamide?
(3S)-3-methoxypyrrolidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 90015831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).