N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

C12H27ClN2OS — CID 119600356

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-10(2)8-12(3,9-13)14-11(15)6-5-7-16-4;/h10H,5-9,13H2,1-4H3,(H,14,15);1H
InChIKeyKSTJKSZQUNLTBO-UHFFFAOYSA-N
MW282.88 g/mol
LogP2.43
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119600356) has the molecular formula C12H27ClN2OS and a molecular weight of 282.88 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119600356
Molecular FormulaC12H27ClN2OS
Molecular Weight282.88 g/mol
Exact Mass282.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-10(2)8-12(3,9-13)14-11(15)6-5-7-16-4;/h10H,5-9,13H2,1-4H3,(H,14,15);1H
InChIKeyKSTJKSZQUNLTBO-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.88
LogP ≤ 52.43
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-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 119609041
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119598032
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119597382
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 119598146
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (CID 119600356) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is CSCCCC(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is KSTJKSZQUNLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS.ClH/c1-10(2)8-12(3,9-13)14-11(15)6-5-7-16-4;/h10H,5-9,13H2,1-4H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 282.88 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119600356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).