N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide

C8H18N2O3S — CID 60919155

IUPACN,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide
SMILESCC(NCCS(C)(=O)=O)C(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(8(11)10(2)3)9-5-6-14(4,12)13/h7,9H,5-6H2,1-4H3
InChIKeyMFHRGWNUSLPDFP-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.90
Rot. Bonds5

About N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide

N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide (PubChem CID 60919155) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide
PubChem CID60919155
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide
SMILESCC(NCCS(C)(=O)=O)C(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-7(8(11)10(2)3)9-5-6-14(4,12)13/h7,9H,5-6H2,1-4H3
InChIKeyMFHRGWNUSLPDFP-UHFFFAOYSA-N
XLogP-0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
2-[2-(carbamoylamino)ethylamino]-N,N-dimethylpropanamide
CID 83120649
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide?
The IUPAC name of N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide (CID 60919155) is N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide is CC(NCCS(C)(=O)=O)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide?
The InChIKey is MFHRGWNUSLPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(8(11)10(2)3)9-5-6-14(4,12)13/h7,9H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide?
N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide has a molecular weight of 222.31 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide is sourced from PubChem (CID 60919155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).