N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide

C6H15NO2S2 — CID 115663349

IUPACN-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide
SMILESCSC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C6H15NO2S2/c1-6(2,10-3)5-7-11(4,8)9/h7H,5H2,1-4H3
InChIKeyMZDCROLZJKENJK-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.68
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide

N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide (PubChem CID 115663349) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide
PubChem CID115663349
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide
SMILESCSC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C6H15NO2S2/c1-6(2,10-3)5-7-11(4,8)9/h7H,5H2,1-4H3
InChIKeyMZDCROLZJKENJK-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
CID 126844411
4-hydrazinyl-2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 107328146
N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458
3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
CID 66003148
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
CID 111609288
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
2,4-dichloro-5-(methylaminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080815
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide (CID 115663349) is N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide is CSC(C)(C)CNS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide?
The InChIKey is MZDCROLZJKENJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-6(2,10-3)5-7-11(4,8)9/h7H,5H2,1-4H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide?
N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide has a molecular weight of 197.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)methanesulfonamide is sourced from PubChem (CID 115663349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).