N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

C11H22N2O4S — CID 61408944

IUPACN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O4S/c1-3-7-18(16,17)12-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyUGNCVWTXZWERNH-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.31
Rot. Bonds6

About N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 61408944) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID61408944
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O4S/c1-3-7-18(16,17)12-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyUGNCVWTXZWERNH-UHFFFAOYSA-N
XLogP-0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 102737901
N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66261585
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 23715032
methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
CID 78919646
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (CID 61408944) is N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CCCC1CO.
What is the InChIKey of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is UGNCVWTXZWERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-7-18(16,17)12-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 61408944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).