2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide

C13H21N3OS — CID 156791369

IUPAC2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
SMILESCc1ccccc1/S(N)=N/C(=O)C(N)CC(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)8-11(14)13(17)16-18(15)12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H2,15,16,17)
InChIKeyLEYCGIHZVYZZTG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide

2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide (PubChem CID 156791369) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
PubChem CID156791369
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
SMILESCc1ccccc1/S(N)=N/C(=O)C(N)CC(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)8-11(14)13(17)16-18(15)12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H2,15,16,17)
InChIKeyLEYCGIHZVYZZTG-UHFFFAOYSA-N
XLogP1.93
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-N-[amino-(5-methoxythiophen-3-yl)-λ4-sulfanylidene]-4-methylpentanamide
CID 156791421
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
CID 156530582
2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
CID 156791394
1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
CID 123870032
(2S)-2-amino-4-methylpentanoic acid;benzylcarbamic acid
CID 70255387
(2S)-2-amino-4-methyl-N-[(R)-phenylsulfinyl]pentanamide;(2S)-2-amino-4-methyl-N-[(S)-phenylsulfinyl]pentanamide
CID 158890382
2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64655971
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide (CID 156791369) is 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide is Cc1ccccc1/S(N)=N/C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide?
The InChIKey is LEYCGIHZVYZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)8-11(14)13(17)16-18(15)12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide?
2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide has a molecular weight of 267.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide is sourced from PubChem (CID 156791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).