N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide

C11H24N2O3S — CID 54901013

IUPACN-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCCS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-4-10(3)13-11(14)6-7-12-8-9-17(15,16)5-2/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyJASSYUAPDFMALT-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.32
Rot. Bonds9

About N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide

N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide (PubChem CID 54901013) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
PubChem CID54901013
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCCS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-4-10(3)13-11(14)6-7-12-8-9-17(15,16)5-2/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyJASSYUAPDFMALT-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide 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

methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
N-butan-2-yl-3-(dimethylsulfamoyl)propanamide
CID 110343264
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
CID 103409413
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
3-[(5-amino-5-hydroxyiminopentyl)amino]-N-butan-2-ylpropanamide
CID 77028307
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
3-amino-N-butan-2-ylpropanamide
CID 16784988

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide (CID 54901013) is N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide is CCC(C)NC(=O)CCNCCS(=O)(=O)CC.
What is the InChIKey of N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide?
The InChIKey is JASSYUAPDFMALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-10(3)13-11(14)6-7-12-8-9-17(15,16)5-2/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide?
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide has a molecular weight of 264.39 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide is sourced from PubChem (CID 54901013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).