2-methyl-N-nonylpropane-2-sulfonamide

C13H29NO2S — CID 10587655

IUPAC2-methyl-N-nonylpropane-2-sulfonamide
SMILESCCCCCCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-5-6-7-8-9-10-11-12-14-17(15,16)13(2,3)4/h14H,5-12H2,1-4H3
InChIKeyMNCJRMAFQQVXFT-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.45
Rot. Bonds9

About 2-methyl-N-nonylpropane-2-sulfonamide

2-methyl-N-nonylpropane-2-sulfonamide (PubChem CID 10587655) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-methyl-N-nonylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-nonylpropane-2-sulfonamide
PubChem CID10587655
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-nonylpropane-2-sulfonamide
SMILESCCCCCCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-5-6-7-8-9-10-11-12-14-17(15,16)13(2,3)4/h14H,5-12H2,1-4H3
InChIKeyMNCJRMAFQQVXFT-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 2-methyl-N-nonylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-nonylpropane-2-sulfonamide (CID 10587655) is 2-methyl-N-nonylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-nonylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-nonylpropane-2-sulfonamide is CCCCCCCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-nonylpropane-2-sulfonamide?
The InChIKey is MNCJRMAFQQVXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-5-6-7-8-9-10-11-12-14-17(15,16)13(2,3)4/h14H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-nonylpropane-2-sulfonamide?
2-methyl-N-nonylpropane-2-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-nonylpropane-2-sulfonamide is sourced from PubChem (CID 10587655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).