Skip to content

N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide

C15H33NO4S2 — CID 118241803

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)[S@](C)=O
InChIInChI=1S/C15H33NO4S2/c1-9-13(21(7)17)10-15(4,5)14(20-12(2)3)11-16(6)22(8,18)19/h12-14H,9-11H2,1-8H3/t13?,14?,21-/m0/s1
InChIKeyIBJMIYFFKAKNEH-ABNGFUMUSA-N
MW355.57 g/mol
LogP2.24
Rot. Bonds10

About N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide

N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide (PubChem CID 118241803) has the molecular formula C15H33NO4S2 and a molecular weight of 355.57 g/mol. Its IUPAC name is N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
PubChem CID118241803
Molecular FormulaC15H33NO4S2
Molecular Weight355.57 g/mol
Exact Mass355.19
IUPAC NameN-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)[S@](C)=O
InChIInChI=1S/C15H33NO4S2/c1-9-13(21(7)17)10-15(4,5)14(20-12(2)3)11-16(6)22(8,18)19/h12-14H,9-11H2,1-8H3/t13?,14?,21-/m0/s1
InChIKeyIBJMIYFFKAKNEH-ABNGFUMUSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide (CID 118241803) is N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide is CCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)[S@](C)=O.
What is the InChIKey of N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The InChIKey is IBJMIYFFKAKNEH-ABNGFUMUSA-N. The full InChI is InChI=1S/C15H33NO4S2/c1-9-13(21(7)17)10-15(4,5)14(20-12(2)3)11-16(6)22(8,18)19/h12-14H,9-11H2,1-8H3/t13?,14?,21-/m0/s1.
What are the key properties of N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide has a molecular weight of 355.57 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.