6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide

C18H37NO3S — CID 155247328

IUPAC6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide
SMILESCCCCCCC(C)(CCCCC)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C18H37NO3S/c1-4-6-8-10-14-18(3,13-9-7-5-2)23(20,21)19-16-17-12-11-15-22-17/h17,19H,4-16H2,1-3H3
InChIKeyKPIMJUFRFVEPLL-UHFFFAOYSA-N
MW347.57 g/mol
LogP4.39
Rot. Bonds13

About 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide

6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide (PubChem CID 155247328) has the molecular formula C18H37NO3S and a molecular weight of 347.57 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide
PubChem CID155247328
Molecular FormulaC18H37NO3S
Molecular Weight347.57 g/mol
Exact Mass347.25
IUPAC Name6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide
SMILESCCCCCCC(C)(CCCCC)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C18H37NO3S/c1-4-6-8-10-14-18(3,13-9-7-5-2)23(20,21)19-16-17-12-11-15-22-17/h17,19H,4-16H2,1-3H3
InChIKeyKPIMJUFRFVEPLL-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide?
The IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide (CID 155247328) is 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide.
What is the SMILES notation for 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide?
The canonical SMILES for 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide is CCCCCCC(C)(CCCCC)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide?
The InChIKey is KPIMJUFRFVEPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3S/c1-4-6-8-10-14-18(3,13-9-7-5-2)23(20,21)19-16-17-12-11-15-22-17/h17,19H,4-16H2,1-3H3.
What are the key properties of 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide?
6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide has a molecular weight of 347.57 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-2-ylmethyl)dodecane-6-sulfonamide is sourced from PubChem (CID 155247328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).