(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide

C5H12N2O3S — CID 104978076

IUPAC(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C5H12N2O3S/c1-6-11(9,10)7-3-2-5(8)4-7/h5-6,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyRNNWPOJNTWPOQR-YFKPBYRVSA-N
MW180.23 g/mol
LogP-1.48
Rot. Bonds2

About (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide

(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide (PubChem CID 104978076) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide
PubChem CID104978076
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C5H12N2O3S/c1-6-11(9,10)7-3-2-5(8)4-7/h5-6,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyRNNWPOJNTWPOQR-YFKPBYRVSA-N
XLogP-1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxypyrrolidine-1-sulfonyl fluoride
CID 135564463
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 122536446
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 122536448
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583396
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583505
(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
CID 138583574
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 104978074
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 104978078
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809494
(S)-3-hydroxypyrrolidine-1-sulfonyl fluoride
CID 135564450
3-Hydroxypyrrolidine-1-sulfonyl fluoride
CID 135564464
3-Hydroxypyrrolidine-1-sulfonic acid
CID 21963928

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide (CID 104978076) is (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is RNNWPOJNTWPOQR-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-11(9,10)7-3-2-5(8)4-7/h5-6,8H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide?
(3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 104978076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).