N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide

C16H33NO2S — CID 134402383

IUPACN-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide
SMILESCCCCCCC(C)(CCCC)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C16H33NO2S/c1-5-7-9-10-14-16(3,13-8-6-2)17(4)20(18,19)15-11-12-15/h15H,5-14H2,1-4H3
InChIKeyBVSDKSDSKDAEOB-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.33
Rot. Bonds11

About N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide

N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide (PubChem CID 134402383) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide
PubChem CID134402383
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide
SMILESCCCCCCC(C)(CCCC)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C16H33NO2S/c1-5-7-9-10-14-16(3,13-8-6-2)17(4)20(18,19)15-11-12-15/h15H,5-14H2,1-4H3
InChIKeyBVSDKSDSKDAEOB-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.33
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-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide (CID 134402383) is N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide is CCCCCCC(C)(CCCC)N(C)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide?
The InChIKey is BVSDKSDSKDAEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-5-7-9-10-14-16(3,13-8-6-2)17(4)20(18,19)15-11-12-15/h15H,5-14H2,1-4H3.
What are the key properties of N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide?
N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide has a molecular weight of 303.51 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylundecan-5-yl)cyclopropanesulfonamide is sourced from PubChem (CID 134402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).