N-(5-methylundecyl)methanesulfonamide

C13H29NO2S — CID 130291244

IUPACN-(5-methylundecyl)methanesulfonamide
SMILESCCCCCCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-5-6-7-10-13(2)11-8-9-12-14-17(3,15)16/h13-14H,4-12H2,1-3H3
InChIKeyGKFSLQWOVDMKSG-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.31
Rot. Bonds11

About N-(5-methylundecyl)methanesulfonamide

N-(5-methylundecyl)methanesulfonamide (PubChem CID 130291244) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(5-methylundecyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylundecyl)methanesulfonamide
PubChem CID130291244
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-(5-methylundecyl)methanesulfonamide
SMILESCCCCCCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-5-6-7-10-13(2)11-8-9-12-14-17(3,15)16/h13-14H,4-12H2,1-3H3
InChIKeyGKFSLQWOVDMKSG-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.31
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 N-(5-methylundecyl)methanesulfonamide?
The IUPAC name of N-(5-methylundecyl)methanesulfonamide (CID 130291244) is N-(5-methylundecyl)methanesulfonamide.
What is the SMILES notation for N-(5-methylundecyl)methanesulfonamide?
The canonical SMILES for N-(5-methylundecyl)methanesulfonamide is CCCCCCC(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methylundecyl)methanesulfonamide?
The InChIKey is GKFSLQWOVDMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-4-5-6-7-10-13(2)11-8-9-12-14-17(3,15)16/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(5-methylundecyl)methanesulfonamide?
N-(5-methylundecyl)methanesulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylundecyl)methanesulfonamide is sourced from PubChem (CID 130291244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).