2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide

C11H23N3O2S — CID 119660546

IUPAC2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)CSCC(N)=O
InChIInChI=1S/C11H23N3O2S/c1-8(2)9(12)4-5-14(3)11(16)7-17-6-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15)
InChIKeyWTKPFMSVAKBPFN-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.04
Rot. Bonds8

About 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide

2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 119660546) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID119660546
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)CSCC(N)=O
InChIInChI=1S/C11H23N3O2S/c1-8(2)9(12)4-5-14(3)11(16)7-17-6-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15)
InChIKeyWTKPFMSVAKBPFN-UHFFFAOYSA-N
XLogP0.04
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119657249
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 119660589
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807711
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide
CID 119658743
N-(3-amino-4-methylpentyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 119661461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide (CID 119660546) is 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide is CC(C)C(N)CCN(C)C(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is WTKPFMSVAKBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-8(2)9(12)4-5-14(3)11(16)7-17-6-10(13)15/h8-9H,4-7,12H2,1-3H3,(H2,13,15).
What are the key properties of 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide?
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 261.39 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119660546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).