N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide

C10H22N2OS — CID 60676629

IUPACN-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2OS/c1-8(11-6-7-14-5)9(13)12-10(2,3)4/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyHEFLZQKNPCOGEM-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.24
Rot. Bonds5

About N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide

N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide (PubChem CID 60676629) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
PubChem CID60676629
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2OS/c1-8(11-6-7-14-5)9(13)12-10(2,3)4/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyHEFLZQKNPCOGEM-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320
N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
CID 3039535
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
N-tert-butyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propanamide
CID 79358046

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide (CID 60676629) is N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide is CSCCNC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide?
The InChIKey is HEFLZQKNPCOGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(11-6-7-14-5)9(13)12-10(2,3)4/h8,11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide?
N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide has a molecular weight of 218.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 60676629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).