3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C9H20N2O3S — CID 62371350

IUPAC3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10(3)15(13,14)11-5-4-9(6-11)7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyJCUAVGVXTJGPMR-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.11
Rot. Bonds4

About 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 62371350) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID62371350
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10(3)15(13,14)11-5-4-9(6-11)7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyJCUAVGVXTJGPMR-UHFFFAOYSA-N
XLogP-0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 62371350) is 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is JCUAVGVXTJGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)10(3)15(13,14)11-5-4-9(6-11)7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 62371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).