N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide

C10H21NO3S — CID 167290777

IUPACN-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide
SMILESCCCCC(C)(C)C(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-5-6-7-10(2,3)9(12)8-11-15(4,13)14/h11H,5-8H2,1-4H3
InChIKeyHMLHNGNUIOYYLM-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.32
Rot. Bonds7

About N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide

N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide (PubChem CID 167290777) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide
PubChem CID167290777
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide
SMILESCCCCC(C)(C)C(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-5-6-7-10(2,3)9(12)8-11-15(4,13)14/h11H,5-8H2,1-4H3
InChIKeyHMLHNGNUIOYYLM-UHFFFAOYSA-N
XLogP1.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide (CID 167290777) is N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide is CCCCC(C)(C)C(=O)CNS(C)(=O)=O.
What is the InChIKey of N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide?
The InChIKey is HMLHNGNUIOYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-5-6-7-10(2,3)9(12)8-11-15(4,13)14/h11H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide?
N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide is sourced from PubChem (CID 167290777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).