N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide

C11H19NO5S — CID 11173472

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C11H19NO5S/c1-2-3-4-7-18(15,16)8-10(13)12-9-5-6-17-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLBTBSNIQLKGUFI-VIFPVBQESA-N
MW277.34 g/mol
LogP0.02
Rot. Bonds7

About N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide

N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide (PubChem CID 11173472) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
PubChem CID11173472
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C11H19NO5S/c1-2-3-4-7-18(15,16)8-10(13)12-9-5-6-17-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLBTBSNIQLKGUFI-VIFPVBQESA-N
XLogP0.02
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide (CID 11173472) is N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide is CCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide?
The InChIKey is LBTBSNIQLKGUFI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO5S/c1-2-3-4-7-18(15,16)8-10(13)12-9-5-6-17-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide has a molecular weight of 277.34 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide is sourced from PubChem (CID 11173472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).