N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide

C14H28N2O2S2 — CID 88559042

IUPACN-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)NC(=O)CCSSCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S2/c1-13(2,3)12(18)15-8-10-20-19-9-7-11(17)16-14(4,5)6/h7-10H2,1-6H3,(H,15,18)(H,16,17)
InChIKeyFYLMIQVHSXPAHI-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide

N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide (PubChem CID 88559042) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide
PubChem CID88559042
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC NameN-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)NC(=O)CCSSCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S2/c1-13(2,3)12(18)15-8-10-20-19-9-7-11(17)16-14(4,5)6/h7-10H2,1-6H3,(H,15,18)(H,16,17)
InChIKeyFYLMIQVHSXPAHI-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide
CID 167237901
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
N,N'-ditert-butylhexanediamide
CID 3593481
1-[2-(tert-butylamino)ethyldisulfanyl]-4,4-dimethylpentan-3-one
CID 118887193
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119523411
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
(E)-2,3-bis[2-(2,2-dimethylpropanoylamino)ethyl]but-2-enedioic acid
CID 126482920

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide (CID 88559042) is N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)NC(=O)CCSSCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is FYLMIQVHSXPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-13(2,3)12(18)15-8-10-20-19-9-7-11(17)16-14(4,5)6/h7-10H2,1-6H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide?
N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 320.52 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 88559042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).