N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide

C14H31NO3S — CID 146352734

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)COCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-12(14(5,6)7)15-19(16,17)11-18-10-8-9-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyAOPQYJOMRGNJFA-GFCCVEGCSA-N
MW293.47 g/mol
LogP3.14
Rot. Bonds7

About N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide (PubChem CID 146352734) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide
PubChem CID146352734
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)COCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-12(14(5,6)7)15-19(16,17)11-18-10-8-9-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyAOPQYJOMRGNJFA-GFCCVEGCSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 53.14
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 N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide (CID 146352734) is N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide is C[C@@H](NS(=O)(=O)COCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide?
The InChIKey is AOPQYJOMRGNJFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-12(14(5,6)7)15-19(16,17)11-18-10-8-9-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide has a molecular weight of 293.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4,4-dimethylpentoxy)methanesulfonamide is sourced from PubChem (CID 146352734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).