N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide

C14H28N2O2S — CID 134403497

IUPACN'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
SMILESCSC(C)CCNC(=O)CCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(19-5)9-10-15-12(17)7-6-8-13(18)16-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyXGVLHQOFACYQBP-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.33
Rot. Bonds8

About N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide

N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide (PubChem CID 134403497) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
PubChem CID134403497
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
SMILESCSC(C)CCNC(=O)CCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(19-5)9-10-15-12(17)7-6-8-13(18)16-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyXGVLHQOFACYQBP-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
N,N'-ditert-butylhexanediamide
CID 3593481
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
3,3-dimethyl-2-(3-methylsulfanylbutylcarbamoyl)butanoic acid
CID 116537516
N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-tert-butyl-4-hydroxybutanamide
CID 11829724
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide?
The IUPAC name of N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide (CID 134403497) is N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide.
What is the SMILES notation for N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide?
The canonical SMILES for N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide is CSC(C)CCNC(=O)CCCC(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide?
The InChIKey is XGVLHQOFACYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(19-5)9-10-15-12(17)7-6-8-13(18)16-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide?
N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide has a molecular weight of 288.46 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide is sourced from PubChem (CID 134403497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).