2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide

C11H24N2O4S — CID 113407022

IUPAC2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
SMILESCCS(=O)(=O)CCCNC(C)C(=O)NCCOC
InChIInChI=1S/C11H24N2O4S/c1-4-18(15,16)9-5-6-12-10(2)11(14)13-7-8-17-3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyBCCFKOJGENLQIN-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.45
Rot. Bonds10

About 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide

2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 113407022) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
PubChem CID113407022
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
SMILESCCS(=O)(=O)CCCNC(C)C(=O)NCCOC
InChIInChI=1S/C11H24N2O4S/c1-4-18(15,16)9-5-6-12-10(2)11(14)13-7-8-17-3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyBCCFKOJGENLQIN-UHFFFAOYSA-N
XLogP-0.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
methyl 2-(3-ethylsulfonylpropylamino)propanoate
CID 65092726
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
CID 82721655
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide (CID 113407022) is 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide is CCS(=O)(=O)CCCNC(C)C(=O)NCCOC.
What is the InChIKey of 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is BCCFKOJGENLQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-18(15,16)9-5-6-12-10(2)11(14)13-7-8-17-3/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide?
2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 280.39 g/mol, XLogP of -0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113407022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).