N-cyclobutyl-N-methylpentane-1-sulfonamide

C10H21NO2S — CID 75522285

IUPACN-cyclobutyl-N-methylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C10H21NO2S/c1-3-4-5-9-14(12,13)11(2)10-7-6-8-10/h10H,3-9H2,1-2H3
InChIKeyJPNNYNBJDWNSIZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.99
Rot. Bonds6

About N-cyclobutyl-N-methylpentane-1-sulfonamide

N-cyclobutyl-N-methylpentane-1-sulfonamide (PubChem CID 75522285) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-cyclobutyl-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-methylpentane-1-sulfonamide
PubChem CID75522285
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-cyclobutyl-N-methylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C10H21NO2S/c1-3-4-5-9-14(12,13)11(2)10-7-6-8-10/h10H,3-9H2,1-2H3
InChIKeyJPNNYNBJDWNSIZ-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclobutyl-N-methylpentane-1-sulfonamide?
The IUPAC name of N-cyclobutyl-N-methylpentane-1-sulfonamide (CID 75522285) is N-cyclobutyl-N-methylpentane-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-methylpentane-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-methylpentane-1-sulfonamide is CCCCCS(=O)(=O)N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methylpentane-1-sulfonamide?
The InChIKey is JPNNYNBJDWNSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-4-5-9-14(12,13)11(2)10-7-6-8-10/h10H,3-9H2,1-2H3.
What are the key properties of N-cyclobutyl-N-methylpentane-1-sulfonamide?
N-cyclobutyl-N-methylpentane-1-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 75522285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).