N-(5-hydroxypentyl)-2-methylsulfonylpropanamide

C9H19NO4S — CID 107318586

IUPACN-(5-hydroxypentyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCCCCO)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(15(2,13)14)9(12)10-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeySKZKNCALJCGGTO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds7

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

N-(5-hydroxypentyl)-2-methylsulfonylpropanamide (PubChem CID 107318586) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methylsulfonylpropanamide
PubChem CID107318586
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(5-hydroxypentyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCCCCO)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(15(2,13)14)9(12)10-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeySKZKNCALJCGGTO-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
CID 104521813
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methylsulfonylpropanamide (CID 107318586) is N-(5-hydroxypentyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methylsulfonylpropanamide is CC(C(=O)NCCCCCO)S(C)(=O)=O.
What is the InChIKey of N-(5-hydroxypentyl)-2-methylsulfonylpropanamide?
The InChIKey is SKZKNCALJCGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(15(2,13)14)9(12)10-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(5-hydroxypentyl)-2-methylsulfonylpropanamide?
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 107318586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).