N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

C12H24N2O4S — CID 102737901

IUPACN-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H24N2O4S/c1-4-7-19(17,18)13-10(3)12(16)14-6-5-9(2)11(14)8-15/h9-11,13,15H,4-8H2,1-3H3
InChIKeyRZNKWZUXIJLIST-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.07
Rot. Bonds6

About N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 102737901) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID102737901
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H24N2O4S/c1-4-7-19(17,18)13-10(3)12(16)14-6-5-9(2)11(14)8-15/h9-11,13,15H,4-8H2,1-3H3
InChIKeyRZNKWZUXIJLIST-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-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)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 61408944
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102780574
2-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 102778404
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 102785839
methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
CID 78919646
N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769970
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (CID 102737901) is N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CCC(C)C1CO.
What is the InChIKey of N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is RZNKWZUXIJLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-7-19(17,18)13-10(3)12(16)14-6-5-9(2)11(14)8-15/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.07, 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)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 102737901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).