2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide

C11H23N3O2S — CID 119599764

IUPAC2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CC(C)(CN)NC(=O)CSCC(N)=O
InChIInChI=1S/C11H23N3O2S/c1-8(2)4-11(3,7-12)14-10(16)6-17-5-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyQYPXSIINSNCZAF-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.08
Rot. Bonds8

About 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 119599764) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID119599764
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CC(C)(CN)NC(=O)CSCC(N)=O
InChIInChI=1S/C11H23N3O2S/c1-8(2)4-11(3,7-12)14-10(16)6-17-5-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyQYPXSIINSNCZAF-UHFFFAOYSA-N
XLogP0.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119599005
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 119597392
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
CID 119599438
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide (CID 119599764) is 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide is CC(C)CC(C)(CN)NC(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is QYPXSIINSNCZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-8(2)4-11(3,7-12)14-10(16)6-17-5-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 261.39 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119599764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).