N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide

C12H26N2O3S — CID 106724338

IUPACN-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
SMILESCC(C)S(=O)(=O)CCNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(2)18(16,17)9-8-13-7-6-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyYPKRCTUYROLDOZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.70
Rot. Bonds7

About N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide

N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide (PubChem CID 106724338) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
PubChem CID106724338
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
SMILESCC(C)S(=O)(=O)CCNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(2)18(16,17)9-8-13-7-6-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyYPKRCTUYROLDOZ-UHFFFAOYSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.70
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-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide (CID 106724338) is N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide is CC(C)S(=O)(=O)CCNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
The InChIKey is YPKRCTUYROLDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)18(16,17)9-8-13-7-6-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide?
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide has a molecular weight of 278.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide is sourced from PubChem (CID 106724338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).