3-tert-butylsulfanylpropanamide

C7H15NOS — CID 21060365

IUPAC3-tert-butylsulfanylpropanamide
SMILESCC(C)(C)SCCC(N)=O
InChIInChI=1S/C7H15NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyVQUMZGICNVNDGS-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.39
Rot. Bonds3

About 3-tert-butylsulfanylpropanamide

3-tert-butylsulfanylpropanamide (PubChem CID 21060365) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-tert-butylsulfanylpropanamide.

Molecular Properties

Compound Name3-tert-butylsulfanylpropanamide
PubChem CID21060365
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-tert-butylsulfanylpropanamide
SMILESCC(C)(C)SCCC(N)=O
InChIInChI=1S/C7H15NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyVQUMZGICNVNDGS-UHFFFAOYSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-methylpropyl)sulfanylpropanamide
CID 66229715
(3-amino-3-oxopropyl) thiohypofluorite;ethane
CID 142920454
borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
CID 2733083
1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
4,4-dimethylpentanamide;hydrochloride
CID 141202343
bis(butanediamide);sulfur dioxide
CID 175182532
3-(methylaminodisulfanyl)propanamide
CID 138457429
3-methyl-3-propylsulfanylbutanamide
CID 134505082
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062368
(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid
CID 10398597

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanylpropanamide?
The IUPAC name of 3-tert-butylsulfanylpropanamide (CID 21060365) is 3-tert-butylsulfanylpropanamide.
What is the SMILES notation for 3-tert-butylsulfanylpropanamide?
The canonical SMILES for 3-tert-butylsulfanylpropanamide is CC(C)(C)SCCC(N)=O.
What is the InChIKey of 3-tert-butylsulfanylpropanamide?
The InChIKey is VQUMZGICNVNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of 3-tert-butylsulfanylpropanamide?
3-tert-butylsulfanylpropanamide has a molecular weight of 161.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanylpropanamide is sourced from PubChem (CID 21060365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).