2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide

C11H19N3O2S2 — CID 156791421

IUPAC2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide
SMILESCOc1cc(/S(N)=N/C(=O)C(N)CC(C)C)cs1
InChIInChI=1S/C11H19N3O2S2/c1-7(2)4-9(12)11(15)14-18(13)8-5-10(16-3)17-6-8/h5-7,9H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyJBAHKUGQOPYVGY-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide

2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide (PubChem CID 156791421) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide
PubChem CID156791421
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide
SMILESCOc1cc(/S(N)=N/C(=O)C(N)CC(C)C)cs1
InChIInChI=1S/C11H19N3O2S2/c1-7(2)4-9(12)11(15)14-18(13)8-5-10(16-3)17-6-8/h5-7,9H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyJBAHKUGQOPYVGY-UHFFFAOYSA-N
XLogP1.69
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
CID 156791369
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
(2S)-2-amino-N-[amino-(4-methoxy-3-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 156531623
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
CID 156791394
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-amino-N-[(4-chlorothiophen-2-yl)-formamido-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 177035504
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide (CID 156791421) is 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide is COc1cc(/S(N)=N/C(=O)C(N)CC(C)C)cs1.
What is the InChIKey of 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide?
The InChIKey is JBAHKUGQOPYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-7(2)4-9(12)11(15)14-18(13)8-5-10(16-3)17-6-8/h5-7,9H,4,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide?
2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide has a molecular weight of 289.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide is sourced from PubChem (CID 156791421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).