N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide

C11H23NO4S — CID 107202909

IUPACN-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide
SMILESCN(CCCCCO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-11(2,17(4,15)16)10(14)12(3)8-6-5-7-9-13/h13H,5-9H2,1-4H3
InChIKeyCEEBFOJUTNQHJM-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.43
Rot. Bonds7

About N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide

N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide (PubChem CID 107202909) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide
PubChem CID107202909
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide
SMILESCN(CCCCCO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-11(2,17(4,15)16)10(14)12(3)8-6-5-7-9-13/h13H,5-9H2,1-4H3
InChIKeyCEEBFOJUTNQHJM-UHFFFAOYSA-N
XLogP0.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Hydroxymethyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
CID 43430926
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 61343346
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 61409079
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 64016527
N-butyl-N-(2-hydroxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 64016728
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 64018756
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 66260734
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 66262181
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79028183
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 79028973
5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79555291
5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 79864355

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide (CID 107202909) is N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide is CN(CCCCCO)C(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The InChIKey is CEEBFOJUTNQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-11(2,17(4,15)16)10(14)12(3)8-6-5-7-9-13/h13H,5-9H2,1-4H3.
What are the key properties of N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide has a molecular weight of 265.37 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,2-dimethyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 107202909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).