N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide

C9H20N2O3S — CID 106723531

IUPACN-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
SMILESCNC(=O)CCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(2)15(13,14)7-6-11-5-4-9(12)10-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyQJGVJPFYLMYFJB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.46
Rot. Bonds7

About N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide

N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide (PubChem CID 106723531) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
PubChem CID106723531
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
SMILESCNC(=O)CCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(2)15(13,14)7-6-11-5-4-9(12)10-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyQJGVJPFYLMYFJB-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
CID 106736339
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The IUPAC name of N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide (CID 106723531) is N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide.
What is the SMILES notation for N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The canonical SMILES for N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide is CNC(=O)CCNCCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The InChIKey is QJGVJPFYLMYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)15(13,14)7-6-11-5-4-9(12)10-3/h8,11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide has a molecular weight of 236.34 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide is sourced from PubChem (CID 106723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).