6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide

C13H28N2OS — CID 113499092

IUPAC6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
SMILESCCSCC(C)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2OS/c1-5-17-10-11(2)15-12(16)6-7-13(3,4)8-9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyZZBAEUAWYMBIHQ-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.40
Rot. Bonds9

About 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide

6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide (PubChem CID 113499092) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
PubChem CID113499092
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
SMILESCCSCC(C)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2OS/c1-5-17-10-11(2)15-12(16)6-7-13(3,4)8-9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyZZBAEUAWYMBIHQ-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
6-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 65290645
N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide
CID 115870642
4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740492
6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 103109224
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide (CID 113499092) is 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide is CCSCC(C)NC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide?
The InChIKey is ZZBAEUAWYMBIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-5-17-10-11(2)15-12(16)6-7-13(3,4)8-9-14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide?
6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide has a molecular weight of 260.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide is sourced from PubChem (CID 113499092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).