N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide

C11H21N3O3S — CID 112705179

IUPACN-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide
SMILESCCC(C#N)S(=O)(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O3S/c1-5-9(8-12)18(16,17)13-7-6-10(15)14-11(2,3)4/h9,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyMRXPGSWTVPDDLW-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.51
Rot. Bonds6

About N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide

N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide (PubChem CID 112705179) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide
PubChem CID112705179
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide
SMILESCCC(C#N)S(=O)(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O3S/c1-5-9(8-12)18(16,17)13-7-6-10(15)14-11(2,3)4/h9,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyMRXPGSWTVPDDLW-UHFFFAOYSA-N
XLogP0.51
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 112705161
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
CID 104682866
4-(1-cyanopropylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002550
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
CID 104626600
1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302855
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide (CID 112705179) is N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide is CCC(C#N)S(=O)(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide?
The InChIKey is MRXPGSWTVPDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-5-9(8-12)18(16,17)13-7-6-10(15)14-11(2,3)4/h9,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide?
N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide has a molecular weight of 275.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide is sourced from PubChem (CID 112705179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).