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

C11H22N2O4S — CID 55065368

IUPACN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H22N2O4S/c1-3-6-18(16,17)12-9(2)11(15)13-5-4-10(7-13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHJHJOIRDXCTDMP-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.45
Rot. Bonds6

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

N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 55065368) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID55065368
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H22N2O4S/c1-3-6-18(16,17)12-9(2)11(15)13-5-4-10(7-13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHJHJOIRDXCTDMP-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (CID 55065368) is N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CCC(CO)C1.
What is the InChIKey of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is HJHJOIRDXCTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-6-18(16,17)12-9(2)11(15)13-5-4-10(7-13)8-14/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 55065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).