1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide

C9H18N2O3S — CID 107199708

IUPAC1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCC(C#N)S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H18N2O3S/c1-9(8-10)15(13,14)11(2)6-4-3-5-7-12/h9,12H,3-7H2,1-2H3
InChIKeyOYSYNWPBGYNXQW-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.32
Rot. Bonds7

About 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide

1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide (PubChem CID 107199708) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
PubChem CID107199708
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCC(C#N)S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H18N2O3S/c1-9(8-10)15(13,14)11(2)6-4-3-5-7-12/h9,12H,3-7H2,1-2H3
InChIKeyOYSYNWPBGYNXQW-UHFFFAOYSA-N
XLogP0.32
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.32
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-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
CID 107203013
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
5-hydroxypentyl(methyl)cyanamide
CID 107199507
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
2-(2-aminophenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107197591
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The IUPAC name of 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide (CID 107199708) is 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The canonical SMILES for 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide is CC(C#N)S(=O)(=O)N(C)CCCCCO.
What is the InChIKey of 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The InChIKey is OYSYNWPBGYNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(8-10)15(13,14)11(2)6-4-3-5-7-12/h9,12H,3-7H2,1-2H3.
What are the key properties of 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide is sourced from PubChem (CID 107199708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).