N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide

C12H27NO4S2 — CID 118241749

IUPACN-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
SMILESCC(C)OC(CN(C)S(C)(=O)=O)C(C)(C)C[S@](C)=O
InChIInChI=1S/C12H27NO4S2/c1-10(2)17-11(8-13(5)19(7,15)16)12(3,4)9-18(6)14/h10-11H,8-9H2,1-7H3/t11?,18-/m0/s1
InChIKeyLMKKDIQAHPNPJD-MCEAHNFKSA-N
MW313.49 g/mol
LogP1.08
Rot. Bonds8

About N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide

N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide (PubChem CID 118241749) has the molecular formula C12H27NO4S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
PubChem CID118241749
Molecular FormulaC12H27NO4S2
Molecular Weight313.49 g/mol
Exact Mass313.14
IUPAC NameN-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
SMILESCC(C)OC(CN(C)S(C)(=O)=O)C(C)(C)C[S@](C)=O
InChIInChI=1S/C12H27NO4S2/c1-10(2)17-11(8-13(5)19(7,15)16)12(3,4)9-18(6)14/h10-11H,8-9H2,1-7H3/t11?,18-/m0/s1
InChIKeyLMKKDIQAHPNPJD-MCEAHNFKSA-N
XLogP1.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-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

Related Compounds

N-(2-ethoxy-3,3-dimethyl-4-methylsulfinylbutyl)-N-methylmethanesulfonamide
CID 118241759
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241803
N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
CID 118241784
N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
CID 88991732
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
CID 118241937
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide
CID 118241855
[(2S)-2-[(2S)-3,3-dimethylpentan-2-yl]oxy-3-[methyl(methylsulfonyl)amino]propyl] 2-(dimethylamino)acetate
CID 118241677
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
CID 18738504
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide (CID 118241749) is N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide is CC(C)OC(CN(C)S(C)(=O)=O)C(C)(C)C[S@](C)=O.
What is the InChIKey of N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide?
The InChIKey is LMKKDIQAHPNPJD-MCEAHNFKSA-N. The full InChI is InChI=1S/C12H27NO4S2/c1-10(2)17-11(8-13(5)19(7,15)16)12(3,4)9-18(6)14/h10-11H,8-9H2,1-7H3/t11?,18-/m0/s1.
What are the key properties of N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide?
N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide has a molecular weight of 313.49 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).