N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide

C9H19NO5S — CID 164784899

IUPACN-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide
SMILESCS(=O)(=O)CCCCC(=O)NCC(O)CO
InChIInChI=1S/C9H19NO5S/c1-16(14,15)5-3-2-4-9(13)10-6-8(12)7-11/h8,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyKAUNTEMMBHVAEN-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.33
Rot. Bonds8

About N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide

N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide (PubChem CID 164784899) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide
PubChem CID164784899
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC NameN-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide
SMILESCS(=O)(=O)CCCCC(=O)NCC(O)CO
InChIInChI=1S/C9H19NO5S/c1-16(14,15)5-3-2-4-9(13)10-6-8(12)7-11/h8,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyKAUNTEMMBHVAEN-UHFFFAOYSA-N
XLogP-1.33
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
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-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide (CID 164784899) is N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide is CS(=O)(=O)CCCCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide?
The InChIKey is KAUNTEMMBHVAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-16(14,15)5-3-2-4-9(13)10-6-8(12)7-11/h8,11-12H,2-7H2,1H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide?
N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide has a molecular weight of 253.32 g/mol, XLogP of -1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide is sourced from PubChem (CID 164784899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).