3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide

C7H16N2O3S — CID 62371352

IUPAC3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C7H16N2O3S/c1-8(2)13(11,12)9-4-3-7(5-9)6-10/h7,10H,3-6H2,1-2H3
InChIKeyKVCVVZJTFHDRSE-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.89
Rot. Bonds3

About 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide

3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 62371352) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID62371352
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C7H16N2O3S/c1-8(2)13(11,12)9-4-3-7(5-9)6-10/h7,10H,3-6H2,1-2H3
InChIKeyKVCVVZJTFHDRSE-UHFFFAOYSA-N
XLogP-0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 62371352) is 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is KVCVVZJTFHDRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-8(2)13(11,12)9-4-3-7(5-9)6-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 62371352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).