N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

C9H20N2O3S — CID 61409291

IUPACN,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C9H20N2O3S/c1-3-10(4-2)15(13,14)11-7-5-6-9(11)8-12/h9,12H,3-8H2,1-2H3
InChIKeyQPKSKIMMCUWJKK-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.03
Rot. Bonds5

About N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 61409291) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
PubChem CID61409291
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C9H20N2O3S/c1-3-10(4-2)15(13,14)11-7-5-6-9(11)8-12/h9,12H,3-8H2,1-2H3
InChIKeyQPKSKIMMCUWJKK-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (CID 61409291) is N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC1CO.
What is the InChIKey of N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is QPKSKIMMCUWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-10(4-2)15(13,14)11-7-5-6-9(11)8-12/h9,12H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61409291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).