N-methyl-N-pentylpropane-1-sulfonamide

C9H21NO2S — CID 64584586

IUPACN-methyl-N-pentylpropane-1-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)CCC
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8-10(3)13(11,12)9-5-2/h4-9H2,1-3H3
InChIKeyQOLYLVDETUALSM-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.85
Rot. Bonds7

About N-methyl-N-pentylpropane-1-sulfonamide

N-methyl-N-pentylpropane-1-sulfonamide (PubChem CID 64584586) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-methyl-N-pentylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pentylpropane-1-sulfonamide
PubChem CID64584586
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-methyl-N-pentylpropane-1-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)CCC
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8-10(3)13(11,12)9-5-2/h4-9H2,1-3H3
InChIKeyQOLYLVDETUALSM-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.85
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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Related Compounds

N-Octylsulfobetaine
CID 3084219
piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
3-(Hexyldimethylammonio)propane-1-sulfonate
CID 12013370
1-Pentylsulfonylpiperidine
CID 303124
N,N-Dibutylethanesulfonamide
CID 303050
Methanesulfonamide, N,N-dihexyl-
CID 533126
Methylsulphonamide, N-ethyl-N-pentyl-
CID 90181700
Methylsulphonamide, N-ethyl-N-hexyl-
CID 91715472
Hexyl-dimethyl-(3-sulfopropyl)azanium
CID 12013371
N,N-diethylhexane-1-sulfonamide
CID 11253021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentylpropane-1-sulfonamide?
The IUPAC name of N-methyl-N-pentylpropane-1-sulfonamide (CID 64584586) is N-methyl-N-pentylpropane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-pentylpropane-1-sulfonamide?
The canonical SMILES for N-methyl-N-pentylpropane-1-sulfonamide is CCCCCN(C)S(=O)(=O)CCC.
What is the InChIKey of N-methyl-N-pentylpropane-1-sulfonamide?
The InChIKey is QOLYLVDETUALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-6-7-8-10(3)13(11,12)9-5-2/h4-9H2,1-3H3.
What are the key properties of N-methyl-N-pentylpropane-1-sulfonamide?
N-methyl-N-pentylpropane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentylpropane-1-sulfonamide is sourced from PubChem (CID 64584586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).