3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide

C10H22N2O3S — CID 79859181

IUPAC3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
SMILESCCNC(C)CC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-5-11-9(2)8-10(13)12(3)6-7-16(4,14)15/h9,11H,5-8H2,1-4H3
InChIKeyOJAFCEKYGXDLGH-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.12
Rot. Bonds7

About 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide

3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide (PubChem CID 79859181) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
PubChem CID79859181
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
SMILESCCNC(C)CC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-5-11-9(2)8-10(13)12(3)6-7-16(4,14)15/h9,11H,5-8H2,1-4H3
InChIKeyOJAFCEKYGXDLGH-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
CID 63008042
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
methyl 2-[3-(ethylamino)butanoyl-methylamino]acetate
CID 62839405
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
CID 79849894
methyl 3-[methyl(2-methylsulfonylethyl)amino]butanoate
CID 79850833
3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62838866
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55121010
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide (CID 79859181) is 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide is CCNC(C)CC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide?
The InChIKey is OJAFCEKYGXDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-11-9(2)8-10(13)12(3)6-7-16(4,14)15/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide?
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide has a molecular weight of 250.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide is sourced from PubChem (CID 79859181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).