5-methoxypentane-2-sulfonamide

C6H15NO3S — CID 165447224

IUPAC5-methoxypentane-2-sulfonamide
SMILESCOCCCC(C)S(N)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(11(7,8)9)4-3-5-10-2/h6H,3-5H2,1-2H3,(H2,7,8,9)
InChIKeyLSGCGCWTUHYRAS-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.09
Rot. Bonds5

About 5-methoxypentane-2-sulfonamide

5-methoxypentane-2-sulfonamide (PubChem CID 165447224) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-methoxypentane-2-sulfonamide.

Molecular Properties

Compound Name5-methoxypentane-2-sulfonamide
PubChem CID165447224
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name5-methoxypentane-2-sulfonamide
SMILESCOCCCC(C)S(N)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(11(7,8)9)4-3-5-10-2/h6H,3-5H2,1-2H3,(H2,7,8,9)
InChIKeyLSGCGCWTUHYRAS-UHFFFAOYSA-N
XLogP0.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-methoxypentan-2-amine
CID 93315322
(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide
CID 130367311
(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide
CID 89402738
1-amino-4-methoxybutan-1-ol
CID 57141832
3-methoxypropane-1-sulfonamide
CID 22737399
1-methoxy-7-methyloctan-4-amine
CID 62603924
2-amino-5-methoxypentanoic acid
CID 18361135
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
1-methoxyheptan-4-amine
CID 43370439
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
CID 116593760

Frequently Asked Questions

What is the IUPAC name of 5-methoxypentane-2-sulfonamide?
The IUPAC name of 5-methoxypentane-2-sulfonamide (CID 165447224) is 5-methoxypentane-2-sulfonamide.
What is the SMILES notation for 5-methoxypentane-2-sulfonamide?
The canonical SMILES for 5-methoxypentane-2-sulfonamide is COCCCC(C)S(N)(=O)=O.
What is the InChIKey of 5-methoxypentane-2-sulfonamide?
The InChIKey is LSGCGCWTUHYRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(11(7,8)9)4-3-5-10-2/h6H,3-5H2,1-2H3,(H2,7,8,9).
What are the key properties of 5-methoxypentane-2-sulfonamide?
5-methoxypentane-2-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypentane-2-sulfonamide is sourced from PubChem (CID 165447224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).