3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

C6H14N2O3S — CID 114809440

IUPAC3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C6H14N2O3S/c1-7-12(10,11)8-3-2-6(4-8)5-9/h6-7,9H,2-5H2,1H3
InChIKeyBRXFNBMARHTKDO-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.24
Rot. Bonds3

About 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 114809440) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID114809440
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C6H14N2O3S/c1-7-12(10,11)8-3-2-6(4-8)5-9/h6-7,9H,2-5H2,1H3
InChIKeyBRXFNBMARHTKDO-UHFFFAOYSA-N
XLogP-1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
Methanol;pyrrolidin-3-ylmethanol
CID 143016466
3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 55065798
N-butyl-3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 62370446
3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62371350
3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62371352
N,N-diethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 62371532

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (CID 114809440) is 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is BRXFNBMARHTKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-7-12(10,11)8-3-2-6(4-8)5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).