3-(hydroxymethyl)pyrrolidine-1-sulfonamide

C5H12N2O3S — CID 112692608

IUPAC3-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C5H12N2O3S/c6-11(9,10)7-2-1-5(3-7)4-8/h5,8H,1-4H2,(H2,6,9,10)
InChIKeyYDVJZNJXCQDZPR-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.50
Rot. Bonds2

About 3-(hydroxymethyl)pyrrolidine-1-sulfonamide

3-(hydroxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 112692608) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrolidine-1-sulfonamide
PubChem CID112692608
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C5H12N2O3S/c6-11(9,10)7-2-1-5(3-7)4-8/h5,8H,1-4H2,(H2,6,9,10)
InChIKeyYDVJZNJXCQDZPR-UHFFFAOYSA-N
XLogP-1.50
TPSA83.63 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 ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methanesulfonylpyrrolidin-3-yl)methanol
CID 62370439
3-(Methoxymethyl)pyrrolidine-1-sulfonamide
CID 64596834
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809442
(3R)-3-(hydroxymethyl)pyrrolidine-1-sulfonyl fluoride
CID 177786345
(3S)-3-(hydroxymethyl)pyrrolidine-1-sulfonyl fluoride
CID 177786346
3-(Hydroxymethyl)pyrrolidine-1-sulfonyl fluoride
CID 177786347
3-(Hydroxymethyl)pyrrolidine-1-sulfinate
CID 123186066
(1-Sulfanylpyrrolidin-3-yl)methanol
CID 123188069
2-Hydroxypyrrolidine-1-sulfonamide
CID 141764153
[(3R)-1-(disulfanyl)pyrrolidin-3-yl]methanol
CID 169813185
3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 55065798
N-butyl-3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 62370446

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)pyrrolidine-1-sulfonamide (CID 112692608) is 3-(hydroxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is YDVJZNJXCQDZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c6-11(9,10)7-2-1-5(3-7)4-8/h5,8H,1-4H2,(H2,6,9,10).
What are the key properties of 3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
3-(hydroxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 112692608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).