N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride

C11H25ClN2OS — CID 119524067

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
SMILESCC(C)CCSCC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-9(2)5-6-15-7-10(14)13-11(3,4)8-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyTZDREAJYMVLVCK-UHFFFAOYSA-N
MW268.85 g/mol
LogP2.04
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride (PubChem CID 119524067) has the molecular formula C11H25ClN2OS and a molecular weight of 268.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
PubChem CID119524067
Molecular FormulaC11H25ClN2OS
Molecular Weight268.85 g/mol
Exact Mass268.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
SMILESCC(C)CCSCC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-9(2)5-6-15-7-10(14)13-11(3,4)8-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyTZDREAJYMVLVCK-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 52.04
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-[3-(aminomethyl)pentan-3-yl]-2-(3-methylbutylsulfanyl)acetamide
CID 119571110
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
CID 119606876
2,2-dimethyl-3-[[2-(3-methylbutylsulfanyl)acetyl]amino]propanoic acid
CID 119249698
N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119667683
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119523589
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 66217234
2-(3-methylbutylsulfanyl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 107752798
methyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756142
2-[[2-(3-methylbutylsulfanyl)acetyl]amino]butanoic acid
CID 115731057

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride (CID 119524067) is N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride is CC(C)CCSCC(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The InChIKey is TZDREAJYMVLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS.ClH/c1-9(2)5-6-15-7-10(14)13-11(3,4)8-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride has a molecular weight of 268.85 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 119524067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).